SCHEMBL8779893

SCHEMBL8779893

CC(Nc1nc2ccccc2[nH]1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
HTT P42858 1/20 0.56
PKM P14618 2/20 0.56
MAOB P27338 1/20 0.56
ADORA2A P29274 1/20 0.56
HSD17B10 Q99714 2/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP3A4 P08684 1/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KLF5 Q13887 2/20 0.51
SCD O00767 1/20 0.51
OPRK1 P41145 1/20 0.51
FFAR2 O15552 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGAV P06756 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8779899 1.00 LMNA (0.59) LMNANPC1RAB9ASMN1; SMN2HTT
SCHEMBL8779898 1.00 LMNA (0.59) LMNANPC1RAB9ASMN1; SMN2HTT
SCHEMBL11989038 0.80 ALDH1A1 (0.61) LMNANPC1RAB9ASMN1; SMN2HTT
SCHEMBL11499385 0.79 RAB9A (0.54) LMNANPC1RAB9ASMN1; SMN2HTT
SCHEMBL7301655 0.78 CYP3A4 (0.58) LMNANPC1RAB9ASMN1; SMN2HTT
SCHEMBL5366964 0.78 LMNA (0.51) LMNANPC1RAB9ASMN1; SMN2HTT
SCHEMBL5133337 0.78 LMNA (0.53) LMNANPC1RAB9ASMN1; SMN2HTT
SCHEMBL1106998 0.77 LMNA (0.69) LMNANPC1RAB9ASMN1; SMN2HTT
SCHEMBL17137526 0.77 FAAH (0.53) LMNANPC1RAB9ASMN1; SMN2PKM
SCHEMBL20028055 0.77 LMNA (0.56) LMNANPC1RAB9ASMN1; SMN2HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117651552-A Therapeutic or prophylactic agent for covd-19 国立大学法人广岛大学 2024-03-05 CN disclosed
CN-111201215-B Novel amide compound, pin1 inhibitor using same, therapeutic agent for inflammatory disease, and therapeutic agent for cancer 国立大学法人广岛大学 2024-01-26 CN disclosed
CN-115397466-A Novel 3,5-diaminobenzoic acid-based compound, pin1 inhibitor using same, and therapeutic agent for inflammatory disease 国立大学法人广岛大学 2022-11-25 CN disclosed
CN-111201215-A Novel amide compound, Pin1 inhibitor using same, therapeutic agent for inflammatory disease, and therapeutic agent for cancer 国立大学法人广岛大学 2020-05-26 CN disclosed
CN-111182896-A Therapeutic agent for fatty liver disease and therapeutic agent for obesity 国立大学法人广岛大学 2020-05-19 CN disclosed
CN-111183129-A Novel anthranilic acid compound, Pin1 inhibitor using same, and therapeutic agent for inflammatory disease and cancer 国立大学法人广岛大学 2020-05-19 CN disclosed
EP-0539057-B1 Benzimidazole phosphono-amino acids AMERICAN HOME PROD (US) 1997-07-16 EP disclosed
EP-0198271-B1 PEPTIDES MERCK PATENT GmbH (DE) 1993-06-09 EP disclosed
EP-0539057-A1 Benzimidazole phosphono-amino acids AMERICAN HOME PRODUCTS CORPORATION (US) 1993-04-28 EP disclosed
US-5124319-A Administering for treatment of neuropathological disorders induced by overstimulation of excitatory amino acid receptors AMERICAN HOME PRODUCTS CORPORATION (US) 1992-06-23 US disclosed
EP-0272444-A2 Renin-inhibiting peptides MERCK PATENT GmbH (DE) 1988-06-29 EP disclosed
EP-0262318-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1988-04-06 EP disclosed
US-4721776-A Amino acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-01-26 US disclosed
EP-0222283-A2 Amino-acid derivatives MERCK PATENT GmbH (DE) 1987-05-20 EP disclosed
EP-0220665-A2 Peptides MERCK PATENT GmbH (DE) 1987-05-06 EP disclosed
US-4170654-A Antihypertensive compositions containing N-heterocyclicalanines and α- MERCK & CO., INC. (US) 1979-10-09 US disclosed
US-4160835-A Antihypertensive compositions containing an arylsubstituted alanine and a phenyl hydrazinopropionic acid MERCK & CO., INC. (US) 1979-07-10 US disclosed
US-4156734-A Antihypertensive compositions containing an aryl-substituted alanine azo and an arylhydrazino-propionic acid MERCK & CO., INC. (US) 1979-05-29 US disclosed
US-4149011-A Novel substituted alanines MERCK & CO., INC. (US) 1979-04-10 US disclosed
US-4070478-A Benzimidazole substituted alanines MERCK & CO., INC. (US) 1978-01-24 US disclosed