SCHEMBL6660883

SCHEMBL6660883

Nc1ccc(-c2nncs2)s1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EPHX2 P34913 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FBP1 P09467 1/20 0.31
AKT1 P31749 1/20 0.30

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
SCHEMBL5012609 0.78 NPC1 (0.41) CYP3A4CYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL298864 0.72 DPP4 (0.46) KDM4EALDH1A1EPHX2HSD17B10
SCHEMBL9912150 0.69 CYP2E1 (0.50) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL17676915 0.67 CYP2E1 (0.48) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL9985566 0.64 HDAC8 (0.36) FBP1
SCHEMBL10950908 0.63 ATM (0.31)
SCHEMBL20016442 0.63 NOTUM (0.42) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL572719 0.61 PDPK1 (0.45) CYP3A4CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL10952709 0.61 ALDH1A1 (0.34) ALDH1A1
SCHEMBL25305371 0.60 MAP4K4 (0.42) AKT1

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
EP-0786698-B1 Organic/inorganic developer composition EASTMAN KODAK CO (US) 2004-08-04 EP disclosed
US-6083673-A REGENERATABLE IRON CHELATE, NOVEL CODEVELOPERS OF PHENIDONE TYPE INCLUDING SOLUBILIZING GROUPS THAT ARE NOT DIRECTLY ATTACHED TO THE PHENYL NUCLEUS OR PYRAZOLIDINO NUCLEUS AND OPTIONALLY ASCORBIC ACID, FAST DEVELOPMENT OF RADIOGRAPHIC EASTMAN KODAK COMPANY (US) 2000-07-04 US disclosed
EP-0786698-A1 Organic/inorganic developer composition EASTMAN KODAK COMPANY (US) 1997-07-30 EP disclosed