SCHEMBL8887485

SCHEMBL8887485

CCOc1cccc(-c2n[nH]c(-c3ccccc3)c2Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 4/20 0.53
FGFR2 P21802 3/20 0.49
FGFR3 P22607 3/20 0.49
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
FGFR1 P11362 3/20 0.46
MAPT P10636 4/20 0.44
GAA P10253 2/20 0.44
MAPK8 P45983 3/20 0.44
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
THRB P10828 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 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
SCHEMBL8888676 0.85 GAA (0.52) TP53SMN1; SMN2GAATDP1KMT2A
SCHEMBL8887278 0.82 GABRA1 (0.46) SMN1; SMN2MAPTGAAKDM4ERXRA
SCHEMBL8889422 0.80 TTK (0.52) TTKFGFR2FGFR3TP53SMN1; SMN2
SCHEMBL8888906 0.80 FGFR1 (0.48) FGFR2FGFR3TP53SMN1; SMN2FGFR1
SCHEMBL8887630 0.77 HTR7 (0.46) SMN1; SMN2MAPTGAAKDM4ETDP1
SCHEMBL8888641 0.77 MAPT (0.46) TTKFGFR2FGFR3TP53SMN1; SMN2
SCHEMBL8887039 0.76 ALDH1A1 (0.60) TTKTP53SMN1; SMN2MAPTGAA
SCHEMBL17279850 0.75 ALDH1A1 (0.50) TTKSMN1; SMN2MAPTGAAKDM4E
SCHEMBL8888803 0.75 MAPK13 (0.48) TP53SMN1; SMN2MAPTGAAKDM4E
SCHEMBL8888462 0.75 IDO1 (0.55) TP53SMN1; SMN2MAPTGAAKDM4E

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-1997001551-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-01-16 WO disclosed