SCHEMBL7279680

SCHEMBL7279680

COc1ccc(-c2nc3cnccc3[nH]2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.66
NPC1 O15118 6/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
KDM4E B2RXH2 5/20 0.66
RAB9A P51151 5/20 0.66
PKM P14618 4/20 0.66
SLC2A1 P11166 1/20 0.55
AURKA O14965 2/20 0.54
HPGD P15428 4/20 0.52
TP53 P04637 2/20 0.52
MEN1 O00255 2/20 0.52
LMNA P02545 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
MAPK13 O15264 2/20 0.52
MAPK12 P53778 2/20 0.52
MAPK11 Q15759 2/20 0.52
MAPK14 Q16539 2/20 0.52
RAF1 P04049 1/20 0.52
NFKB1 P19838 2/20 0.51

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
Hydrochloric Acid SCHEMBL7272126 0.98 ALDH1A1 (0.64) ALDH1A1NPC1SMN1; SMN2KDM4ERAB9A
Hydrochloric Acid SCHEMBL10846592 0.98 ALDH1A1 (0.64) ALDH1A1NPC1SMN1; SMN2KDM4ERAB9A
SCHEMBL10960338 0.89 ALDH1A1 (0.54) ALDH1A1NPC1SMN1; SMN2KDM4ERAB9A
Hydrochloric Acid SCHEMBL10961998 0.88 ALDH1A1 (0.56) ALDH1A1NPC1SMN1; SMN2KDM4ERAB9A
SCHEMBL7272003 0.87 ALDH1A1 (0.51) ALDH1A1NPC1SMN1; SMN2KDM4ERAB9A
SCHEMBL5591310 0.87 ALDH1A1 (0.65) ALDH1A1NPC1SMN1; SMN2KDM4ERAB9A
SCHEMBL9636406 0.84 ALDH1A1 (0.54) ALDH1A1NPC1SMN1; SMN2KDM4ERAB9A
SCHEMBL9635065 0.84 HDAC3 (0.51) ALDH1A1NPC1SMN1; SMN2KDM4ERAB9A
Hydrochloric Acid SCHEMBL7271940 0.83 ALDH1A1 (0.53) ALDH1A1NPC1SMN1; SMN2KDM4ERAB9A
SCHEMBL11228706 0.82 ALDH1A1 (0.68) ALDH1A1NPC1SMN1; SMN2KDM4ERAB9A

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
US-4904785-A INOTROPIC AGENTS FOR CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 1990-02-27 US disclosed
US-4758574-A 2-phenylimidazio (4,5-c) pyridines ELI LILLY AND COMPANY (US) 1988-07-19 US disclosed
US-4603139-A 2-PHENYL-1H-IMIDAZOL(4,5-C)PYRIDINES, ANTICXOAGULANTS, CARDIOVASCULAR DISORDERS BURROUGHS WELLCOME CO. 1986-07-29 US disclosed
EP-0093593-A2 Pyridine compounds ELI LILLY AND COMPANY (US) 1983-11-09 EP disclosed
EP-0079083-A1 New imidazo[4,5-c]pyridine derivatives, processes for their preparation and pharmaceutical formulations containing such compounds MERCK PATENT GmbH (DE) 1983-05-18 EP disclosed