SCHEMBL8540419

SCHEMBL8540419

C=C(Br)CSCc1ccccc1-c1ncc[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.42
TYRO3 Q06418 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
MTOR P42345 1/20 0.37
ADK P55263 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
IDO1 P14902 1/20 0.36
ADRA1A P35348 1/20 0.36
CASP6 P55212 1/20 0.35
MC4R P32245 2/20 0.32
F2 P00734 1/20 0.32
ALDH1A1 P00352 3/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ADRA2A P08913 2/20 0.31
F2RL1 P55085 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 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
SCHEMBL8537574 0.84 CSNK1A1 (0.47) CSNK1A1TYRO3DYRK1BMTORADK
SCHEMBL8536169 0.82 ALDH1A1 (0.52) CSNK1A1TYRO3DYRK1BMTORADK
SCHEMBL8537355 0.79 CSNK1A1 (0.43) CSNK1A1TYRO3DYRK1BMTORADK
SCHEMBL8536212 0.79 CSNK1A1 (0.45) CSNK1A1TYRO3DYRK1BIDO1F2
SCHEMBL8539793 0.78 CSNK1A1 (0.43) CSNK1A1TYRO3DYRK1BMTORADK
SCHEMBL8612686 0.78 MTOR (0.45) CSNK1A1TYRO3DYRK1BMTORADK
SCHEMBL8537087 0.76 CSNK1A1 (0.45) CSNK1A1TYRO3DYRK1BMTORADK
SCHEMBL8535623 0.76 CSNK1A1 (0.40) CSNK1A1TYRO3DYRK1BMTORADK
SCHEMBL8613633 0.76 CYP2D6 (0.45) CSNK1A1TYRO3DYRK1BMTORADK
SCHEMBL8540584 0.74 CSNK1A1 (0.43) CSNK1A1TYRO3DYRK1BALDH1A1MEN1

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