SCHEMBL9854261

SCHEMBL9854261

N#Cc1c(-c2ccccc2)ccc(CBr)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 4/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 6/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRM2 Q14416 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA2A P29274 5/20 0.38
ADORA1 P30542 5/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL2652913 0.78 MAPK1 (0.46) SQORMAPK1L3MBTL1ALDH1A1KDM4E
SCHEMBL30777434 0.78 CD274 (0.45) SQORMAPK1L3MBTL1ALDH1A1KDM4E
SCHEMBL588693 0.78 CD274 (0.45) SQORMAPK1L3MBTL1ALDH1A1KDM4E
SCHEMBL29967703 0.78 MAPK1 (0.46) SQORMAPK1L3MBTL1ALDH1A1KDM4E
SCHEMBL2569037 0.78 ALDH1A1 (0.44) SQORMAPK1L3MBTL1ALDH1A1KDM4E
SCHEMBL16122421 0.76 ALDH1A1 (0.42) SQORMAPK1L3MBTL1ALDH1A1KDM4E
SCHEMBL28871241 0.75 ALDH1A1 (0.43) SQORMAPK1L3MBTL1ALDH1A1KDM4E
SCHEMBL421377 0.75 ALDH1A1 (0.41) SQORMAPK1L3MBTL1ALDH1A1KDM4E
SCHEMBL4958212 0.74 ALDH1A1 (0.53) SQORMAPK1L3MBTL1ALDH1A1KDM4E
SCHEMBL16122425 0.73 ADORA1 (0.51) SQORMAPK1L3MBTL1ALDH1A1KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0426021-A1 Condensed imidazole derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-05-08 EP disclosed