SCHEMBL7272007

SCHEMBL7272007

Cc1ccc(-c2nc3cnccc3[nH]2)c(S)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
JMJD6 Q6NYC1 1/20 0.46
ACHE P22303 1/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE5A O76074 3/20 0.39
F2 P00734 2/20 0.39
F10 P00742 2/20 0.39
PLG P00747 2/20 0.39
PLAU P00749 2/20 0.39
PRSS1 P07477 2/20 0.39
NPBWR1 P48145 1/20 0.39
PLAT P00750 1/20 0.39

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 SCHEMBL7271661 0.99 NPC1 (0.46) NPC1RAB9AJMJD6ACHEALDH1A1
SCHEMBL7281131 0.86 NPBWR1 (0.52) NPC1RAB9AJMJD6ACHEALDH1A1
Hydrochloric Acid SCHEMBL7279969 0.84 NPBWR1 (0.51) NPC1RAB9AJMJD6ACHEALDH1A1
SCHEMBL10984109 0.83 JMJD6 (0.45) NPC1RAB9AJMJD6ACHEALDH1A1
SCHEMBL10417452 0.83 JMJD6 (0.39) NPC1RAB9AJMJD6ACHEALDH1A1
SCHEMBL7270925 0.81 PDE5A (0.56) NPC1RAB9AJMJD6ACHEALDH1A1
SCHEMBL10415589 0.81 PDE5A (0.43) NPC1RAB9AJMJD6ACHEALDH1A1
SCHEMBL7280960 0.78 PDE5A (0.45) NPC1RAB9AJMJD6ACHEALDH1A1
SCHEMBL7270973 0.78 HPGD (0.48) NPC1RAB9AJMJD6ALDH1A1MAPT
SCHEMBL10416982 0.76 ALDH1A1 (0.39) NPC1RAB9AJMJD6ALDH1A1MAPT

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 3 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
EP-0093593-A2 Pyridine compounds ELI LILLY AND COMPANY (US) 1983-11-09 EP disclosed