SCHEMBL11340554

SCHEMBL11340554

COc1ccc(CCBr)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.47
CRHR2 Q13324 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ATM Q13315 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RECQL P46063 1/20 0.47
HTT P42858 2/20 0.46
HPGD P15428 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
POLB P06746 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2D6 P10635 1/20 0.44
DBH P09172 1/20 0.44
CA2 P00918 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL81390 0.89 MAPT (0.51) CRHBPCRHR2SMN1; SMN2ATMKDM4E
SCHEMBL516206 0.84 ATM (0.66) SMN1; SMN2ATMKDM4EALDH1A1MAPT
SCHEMBL4159800 0.84 CRHBP (0.50) CRHBPCRHR2SMN1; SMN2ATMKDM4E
SCHEMBL30764700 0.84 ATM (0.66) SMN1; SMN2ATMKDM4EALDH1A1MAPT
SCHEMBL9886159 0.82 GABRA1 (0.49) CRHBPCRHR2SMN1; SMN2ATMKDM4E
SCHEMBL30413844 0.81 MAPT (0.53) SMN1; SMN2ATMKDM4EALDH1A1MAPT
SCHEMBL3792476 0.81 MAPT (0.53) SMN1; SMN2ATMKDM4EALDH1A1MAPT
SCHEMBL1467270 0.81 KDM4E (0.72) ATMKDM4EMEN1KMT2ACYP1A2
SCHEMBL4161202 0.81 HPGD (0.49) CRHBPCRHR2SMN1; SMN2ATMKDM4E
SCHEMBL31174285 0.81 HPGD (0.49) CRHBPCRHR2SMN1; SMN2ATMKDM4E

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
US-4249938-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-02-10 US disclosed