SCHEMBL8616082

SCHEMBL8616082

c1ccc(-c2ncc[nH]2)c(SC2CCCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.41
TYRO3 Q06418 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
MTOR P42345 1/20 0.40
ADK P55263 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
ADRA1A P35348 3/20 0.38
ADRA2A P08913 2/20 0.35
IDO1 P14902 1/20 0.35
BCL2 P10415 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
MC4R P32245 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL30958574 0.78 ALDH1A1 (0.47) BCL2ALDH1A1MAPTPKMHPGD
SCHEMBL14886257 0.74 NISCH (0.61) CSNK1A1TYRO3DYRK1BMTORADK
SCHEMBL8537576 0.73 CSNK1A1 (0.49) CSNK1A1TYRO3DYRK1BMTORADK
Hydrochloric Acid SCHEMBL20204146 0.72 CSNK1A1 (0.47) CSNK1A1TYRO3DYRK1BMTORADK
SCHEMBL20495594 0.72 MAOA (0.44) BCL2ALDH1A1MAPTPKMHPGD
SCHEMBL30548748 0.72 MAOA (0.44) BCL2ALDH1A1MAPTPKMHPGD
SCHEMBL9287236 0.72 NISCH (0.64) CSNK1A1TYRO3DYRK1BMTORADK
SCHEMBL29242084 0.72 ALDH1A1 (0.42) BCL2ALDH1A1MAPTPKMHPGD
SCHEMBL8538412 0.71 PDE5A (0.57) CSNK1A1TYRO3DYRK1BMTORADK
SCHEMBL8536874 0.70 CSNK1A1 (0.45) CSNK1A1TYRO3DYRK1BMTORADK

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