SCHEMBL8892877

SCHEMBL8892877

COc1ccc2ncc(NCCN)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FERMT2 Q96AC1 1/20 0.50
PDGFRB P09619 5/20 0.48
PDGFRA P16234 5/20 0.48
ALDH1A1 P00352 2/20 0.48
F2 P00734 1/20 0.48
GLA P06280 1/20 0.48
HPGD P15428 1/20 0.48
EGFR P00533 1/20 0.47
SYK P43405 4/20 0.44
APP P05067 1/20 0.44
ALPL P05186 4/20 0.43
PPARG P37231 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
NCF1 P14598 1/20 0.41

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
SCHEMBL7028923 0.75 ALDH1A1 (0.70) PDGFRBPDGFRAALDH1A1F2GLA
SCHEMBL6351827 0.74 FERMT2 (0.41) FERMT2SYK
SCHEMBL6313654 0.73 ALDH1A1 (0.59) PDGFRBPDGFRAALDH1A1F2GLA
SCHEMBL1928147 0.72 PDGFRB (0.58) PDGFRBPDGFRAALDH1A1F2GLA
SCHEMBL15757422 0.72 MTNR1A (0.60) FERMT2SYKPOLB
SCHEMBL444746 0.72 PDGFRB (0.58) PDGFRBPDGFRAALDH1A1F2GLA
SCHEMBL27787646 0.71 TAAR1 (0.47) FERMT2ALDH1A1SYKPOLB
SCHEMBL3018368 0.71 GAA (0.76) FERMT2ALDH1A1APPPPARGKDM4E
SCHEMBL434861 0.71 PDGFRB (0.59) PDGFRBPDGFRAALDH1A1F2GLA
SCHEMBL1069903 0.71 KDM4E (0.43) FERMT2SYKKDM4E

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
WO-1997006161-A1 ANTICOCCIDIAL 8-AMINOQUINOLINE DERIVATIVES PFIZER LIMITED (GB) 1997-02-20 WO disclosed