SCHEMBL4055200

SCHEMBL4055200

Oc1c(F)cccc1-c1cc[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.39
AR P10275 1/20 0.39
IDO1 P14902 1/20 0.36
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
PLAT P00750 1/20 0.35
PRSS1 P07477 1/20 0.35
ALB P02768 1/20 0.35
ERN1 O75460 1/20 0.35
HSD17B14 Q9BPX1 4/20 0.34
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
CASP3 P42574 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL28005102 0.81 BCAT1 (0.38) GRK6IDO1MAPK1DCUN1D1NOTUM
SCHEMBL2277157 0.81 IDO1 (0.53) IDO1CASP3SENP8SENP7SENP6
SCHEMBL30497931 0.81 IDO1 (0.53) IDO1CASP3SENP8SENP7SENP6
SCHEMBL6287518 0.79 IDO1 (0.36) IDO1SMN1; SMN2NPSR1ALOX15KDM4E
SCHEMBL23451813 0.77 NOTUM (0.49) IDO1ERN1MAPTSMN1; SMN2MEN1
SCHEMBL3391917 0.77 MEN1 (0.31) MEN1KMT2A
SCHEMBL3848065 0.75 F2RL3 (0.37) IDO1LMNA
SCHEMBL7242035 0.75 AR (0.47) GRK6ARF2F10PLG
SCHEMBL674356 0.74 NISCH (0.42) MAPTSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL30589021 0.74 NISCH (0.42) MAPTSMN1; SMN2HPGDMEN1KMT2A

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-2009119880-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 WO disclosed