SCHEMBL11847005

SCHEMBL11847005

Cc1cccc(-c2ncc[nH]2)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.44
CSNK1A1 P48729 1/20 0.44
TYRO3 Q06418 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
TAAR1 Q96RJ0 2/20 0.44
MTOR P42345 1/20 0.43
ADK P55263 1/20 0.43
MC4R P32245 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
F2RL1 P55085 3/20 0.38
ADRA1A P35348 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1B P35368 1/20 0.38
IDO1 P14902 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MGAM O43451 1/20 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
SCHEMBL2011486 0.82 NISCH (0.47) NISCHCSNK1A1TYRO3DYRK1BTAAR1
SCHEMBL893307 0.82 ADRA1A (0.47) NISCHCSNK1A1TYRO3DYRK1BTAAR1
SCHEMBL14886293 0.82 CSNK1A1 (0.54) NISCHCSNK1A1TYRO3DYRK1BTAAR1
SCHEMBL29483242 0.82 NISCH (0.47) NISCHCSNK1A1TYRO3DYRK1BTAAR1
SCHEMBL674011 0.82 NISCH (0.53) NISCHCSNK1A1TYRO3DYRK1BTAAR1
SCHEMBL4388545 0.79 CSNK1A1 (0.47) NISCHCSNK1A1TYRO3DYRK1BTAAR1
SCHEMBL31429657 0.79 CSNK1A1 (0.47) NISCHCSNK1A1TYRO3DYRK1BTAAR1
SCHEMBL1074245 0.79 CSNK1A1 (0.47) NISCHCSNK1A1TYRO3DYRK1BTAAR1
SCHEMBL8540856 0.79 CSNK1A1 (0.47) NISCHCSNK1A1TYRO3DYRK1BTAAR1
SCHEMBL1034712 0.78 CSNK1A1 (0.46) NISCHCSNK1A1TYRO3DYRK1BTAAR1

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
US-3997552-A HERBICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-12-14 US claimed
US-3997552-A HERBICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-12-14 US disclosed