SCHEMBL8779899

SCHEMBL8779899

C[C@@H](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
SCHEMBL8779893 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5222077-A None JP disclosed
EP-0539057-B1 Benzimidazole phosphono-amino acids AMERICAN HOME PROD (US) 1997-07-16 EP disclosed
JP-H05222077-A BENZIMIDAZOLE PHOSPHONO-AMINO ACID AMERICAN HOME PROD CORP 1993-08-31 JP 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