SCHEMBL9845858

SCHEMBL9845858

Clc1ccccc1-c1ccccc1-c1ncc[nH]1.[c]1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.45
ADK P55263 1/20 0.45
NISCH Q9Y2I1 1/20 0.45
CSNK1A1 P48729 1/20 0.42
TYRO3 Q06418 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
LRRK2 Q5S007 1/20 0.37
MC4R P32245 1/20 0.37
ADRA2A P08913 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1B P35368 1/20 0.36
KMT2A Q03164 3/20 0.36
IDO1 P14902 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 2/20 0.36

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
SCHEMBL3670744 0.89 NISCH (0.50) MTORADKNISCHCSNK1A1TYRO3
SCHEMBL1458606 0.82 NISCH (0.53) MTORADKNISCHCSNK1A1TYRO3
SCHEMBL14886257 0.79 NISCH (0.61) MTORADKNISCHCSNK1A1TYRO3
Oxalic Acid SCHEMBL31679084 0.77 CSNK1A1 (0.56) MTORADKNISCHCSNK1A1TYRO3
SCHEMBL9287236 0.77 NISCH (0.64) MTORADKNISCHCSNK1A1TYRO3
SCHEMBL893307 0.73 ADRA1A (0.47) MTORADKNISCHCSNK1A1TYRO3
SCHEMBL471923 0.72 NISCH (0.70) MTORADKNISCHCSNK1A1TYRO3
SCHEMBL7024613 0.71 CSNK1A1 (0.40) MTORADKNISCHCSNK1A1TYRO3
SCHEMBL30561250 0.71 MC4R (0.53) MTORADKNISCHCSNK1A1TYRO3
SCHEMBL14663248 0.70 NISCH (0.39) MTORADKNISCHCSNK1A1TYRO3

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-0421195-A2 Photoreactive resin compositions developable in a semi-aqueous solution E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-04-10 EP disclosed
US-4162162-A Derivatives of aryl ketones and p-dialkyl-aminoarylaldehydes as visible sensitizers of photopolymerizable compositions E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-07-24 US disclosed