SCHEMBL28025324

SCHEMBL28025324

COc1ccc(OCc2ccccn2)cc1C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.59
AURKB Q96GD4 3/20 0.55
INCENP Q9NQS7 3/20 0.55
EGFR P00533 1/20 0.50
ERBB2 P04626 1/20 0.50
MAOA P21397 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 1/20 0.49
ABCB1 P08183 1/20 0.48
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
PARP10 Q53GL7 1/20 0.48

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
SCHEMBL9719816 0.82 MAPT (0.53) SYKAURKBINCENPMAOAKDM4E
SCHEMBL15475096 0.81 TUBB1 (0.61) SYKAURKBINCENPKDM4EALDH1A1
SCHEMBL26580976 0.81 KDM4E (0.51) SYKAURKBINCENPMAOAKDM4E
SCHEMBL1073540 0.80 SYK (0.68) SYKAURKBINCENPKDM4EALDH1A1
SCHEMBL791890 0.80 FFAR1 (0.61) SYKAURKBINCENPABCB1HTR1A
SCHEMBL13802180 0.80 MAOB (0.60) MAOAALDH1A1MAPT
SCHEMBL9719851 0.79 MAOA (0.48) SYKMAOAKDM4EALDH1A1SMN1; SMN2
SCHEMBL16485526 0.79 PARP10 (0.49) SYKAURKBINCENPMAOAKDM4E
SCHEMBL20526953 0.79 PARP10 (0.51) SYKAURKBINCENPMAOAKDM4E
SCHEMBL27299169 0.79 FFAR1 (0.53) SYKMAOAKDM4EALDH1A1SMN1; SMN2

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
CN-104903297-A Novel Pyrazole Derivatives PHARMA EIGHT CO LTD 2015-09-09 CN disclosed