SCHEMBL8540911

SCHEMBL8540911

Oc1ccc(O)c(-c2ncc[nH]2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 3/20 0.45
AMY1A P0DUB6 1/20 0.44
CSNK1A1 P48729 1/20 0.44
TYRO3 Q06418 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
CDK4 P11802 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CDK2 P24941 1/20 0.43
CCND3 P30281 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
NISCH Q9Y2I1 2/20 0.42
MTOR P42345 1/20 0.42
ADK P55263 1/20 0.42
GAA P10253 3/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42

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
SCHEMBL31429641 1.00 GUSB (0.45) GUSBAMY1ACSNK1A1TYRO3DYRK1B
SCHEMBL8537911 0.90 AMY1A (0.45) GUSBAMY1ACSNK1A1TYRO3DYRK1B
SCHEMBL28654223 0.86 NISCH (0.50) CSNK1A1TYRO3DYRK1BCDK4CCNA2
SCHEMBL14764328 0.85 IDO1 (0.51) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL31429688 0.84 CSNK1A1 (0.44) AMY1ACSNK1A1TYRO3DYRK1BCDK4
SCHEMBL31429733 0.81 IDO1 (0.58) GUSBCSNK1A1TYRO3DYRK1BNISCH
SCHEMBL31429646 0.81 CASP6 (0.54) AMY1ANPC1CASP6
SCHEMBL12088041 0.81 NISCH (0.55) CSNK1A1TYRO3DYRK1BNISCHMTOR
SCHEMBL29084865 0.81 IDO1 (0.58) GUSBCSNK1A1TYRO3DYRK1BNISCH
SCHEMBL1484995 0.81 CASP6 (0.54) AMY1ANPC1CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0857171-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1998-08-12 EP disclosed
WO-1997015555-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-01 WO disclosed