SCHEMBL3670744

SCHEMBL3670744

Clc1ccccc1-c1ccccc1-c1ncc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.50
CSNK1A1 P48729 1/20 0.50
TYRO3 Q06418 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
MTOR P42345 1/20 0.50
ADK P55263 1/20 0.50
ADRA2A P08913 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA2C P18825 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1B P35368 1/20 0.43
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
IDO1 P14902 1/20 0.42
MC4R P32245 1/20 0.41

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
SCHEMBL1458606 0.92 NISCH (0.53) NISCHCSNK1A1TYRO3DYRK1BMTOR
SCHEMBL9845858 0.89 MTOR (0.45) NISCHCSNK1A1TYRO3DYRK1BMTOR
SCHEMBL14886257 0.88 NISCH (0.61) NISCHCSNK1A1TYRO3DYRK1BMTOR
SCHEMBL9287236 0.86 NISCH (0.64) NISCHCSNK1A1TYRO3DYRK1BMTOR
Oxalic Acid SCHEMBL31679084 0.83 CSNK1A1 (0.56) NISCHCSNK1A1TYRO3DYRK1BMTOR
SCHEMBL893307 0.81 ADRA1A (0.47) NISCHCSNK1A1TYRO3DYRK1BMTOR
SCHEMBL30561250 0.80 MC4R (0.53) NISCHCSNK1A1TYRO3DYRK1BMTOR
SCHEMBL2053341 0.79 ADRA1A (0.45) NISCHCSNK1A1TYRO3DYRK1BMTOR
SCHEMBL1425988 0.77 IDO1 (0.46) NISCHCSNK1A1TYRO3DYRK1BMTOR
SCHEMBL471923 0.77 NISCH (0.70) NISCHCSNK1A1TYRO3DYRK1BMTOR

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-2170080-A2 HARD SURFACE TREATMENT COMPOSITIONS WITH IMPROVED MOLD OR FUNGI REMEDIATION PROPERTIES Reckitt & Colman (Overseas) Limited (GB) 2010-04-07 EP claimed
WO-2009004279-A2 HARD SURFACE TREATMENT COMPOSITIONS WITH IMPROVED MOLD OR FUNGI REMEDIATION PROPERTIES RECKITT BENCKISER (UK) LIMITED (GB) 2009-01-08 WO claimed