SCHEMBL9634693

SCHEMBL9634693

CCCSc1ccc(-c2nc3cnccc3[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.45
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 7/20 0.45
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HPGD P15428 4/20 0.45
PKM P14618 2/20 0.45
PKN1 Q16512 1/20 0.42
PKN2 Q16513 1/20 0.42
HPSE Q9Y251 1/20 0.40
LDHA P00338 1/20 0.40
EPHX2 P34913 1/20 0.40
MAPT P10636 3/20 0.39
ADRB2 P07550 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 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
SCHEMBL9635741 0.89 AURKA (0.47) AURKAALDH1A1KDM4ERAB9ANPC1
SCHEMBL9635679 0.87 ALDH1A1 (0.48) AURKAALDH1A1KDM4ERAB9ANPC1
SCHEMBL9634555 0.85 KDM4E (0.42) AURKAALDH1A1KDM4ERAB9ANPC1
SCHEMBL10741106 0.84 CHRNB4 (0.40) AURKAALDH1A1KDM4ERAB9ANPC1
SCHEMBL7272011 0.82 ALOX5 (0.51) AURKAALDH1A1KDM4ERAB9ANPC1
Hydrochloric Acid SCHEMBL10850991 0.81 ALOX5 (0.50) AURKAALDH1A1KDM4ERAB9ANPC1
Hydrochloric Acid SCHEMBL7271663 0.81 ALOX5 (0.50) AURKAALDH1A1KDM4ERAB9ANPC1
SCHEMBL9635683 0.81 KDM4E (0.44) AURKAALDH1A1KDM4ERAB9ANPC1
SCHEMBL9634557 0.81 KDM4E (0.52) AURKAALDH1A1KDM4ERAB9ANPC1
SCHEMBL9635746 0.81 ALDH1A1 (0.44) AURKAALDH1A1KDM4ERAB9ANPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104881-A 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-04-14 US disclosed
US-4616090-A 2-arylimidazopyridines intermediates MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-07 US disclosed
EP-0072926-B1 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GmbH (DE) 1986-09-24 EP disclosed
EP-0072926-A1 2-Arylimidazopyridines MERCK PATENT GmbH (DE) 1983-03-02 EP disclosed