SCHEMBL8888906

SCHEMBL8888906

CCc1cccc(-c2n[nH]c(-c3ccccc3)c2Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.48
NOTUM Q6P988 1/20 0.45
IDO1 P14902 2/20 0.44
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NISCH Q9Y2I1 1/20 0.40
KDR P35968 1/20 0.40
MAP2K4 P45985 2/20 0.39
BCL2 P10415 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
BRAF P15056 1/20 0.37
DCLK1 O15075 1/20 0.37

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
SCHEMBL8887630 0.81 HTR7 (0.46) NOTUMIDO1KDM4ENPC1ALDH1A1
SCHEMBL8887485 0.80 TTK (0.53) FGFR1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL8887039 0.79 ALDH1A1 (0.60) IDO1KDM4ENPC1ALDH1A1GAA
SCHEMBL8889130 0.79 FGFR1 (0.47) FGFR1NOTUMIDO1SMN1; SMN2NISCH
SCHEMBL17279850 0.78 ALDH1A1 (0.50) IDO1KDM4ENPC1ALDH1A1GAA
SCHEMBL8888803 0.78 MAPK13 (0.48) NOTUMIDO1KDM4ENPC1ALDH1A1
SCHEMBL8888462 0.78 IDO1 (0.55) NOTUMIDO1KDM4ENPC1ALDH1A1
SCHEMBL8888676 0.77 GAA (0.52) NOTUMNPC1ALDH1A1GAAHPGD
SCHEMBL8889663 0.75 CYP1A2 (0.47) FGFR1NOTUMIDO1KDM4EALDH1A1
SCHEMBL19198811 0.75 FGFR1 (0.65) FGFR1NOTUMIDO1KDM4ENPC1

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