SCHEMBL6771491

SCHEMBL6771491

CCOC(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.48
GAA P10253 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 5/20 0.45
ALDH1A1 P00352 3/20 0.45
NAMPT P43490 1/20 0.44
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
TP53 P04637 3/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
THRB P10828 1/20 0.42
POLB P06746 1/20 0.42
NHERF1 O14745 1/20 0.42
CYP19A1 P11511 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 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
SCHEMBL3152273 1.00 RXFP1 (0.50) RXFP1SMN1; SMN2GAANPC1RAB9A
SCHEMBL7489539 1.00 RXFP1 (0.50) RXFP1SMN1; SMN2GAANPC1RAB9A
SCHEMBL481167 0.94 RXFP1 (0.51) RXFP1SMN1; SMN2GAANPC1RAB9A
SCHEMBL481166 0.94 RXFP1 (0.51) RXFP1SMN1; SMN2GAANPC1RAB9A
SCHEMBL2569219 0.93 RXFP1 (0.51) RXFP1SMN1; SMN2GAANPC1RAB9A
SCHEMBL2572320 0.93 RXFP1 (0.51) RXFP1SMN1; SMN2GAANPC1RAB9A
SCHEMBL2572324 0.93 RXFP1 (0.51) RXFP1SMN1; SMN2GAANPC1RAB9A
SCHEMBL3159875 0.93 RXFP1 (0.51) RXFP1SMN1; SMN2GAANPC1RAB9A
SCHEMBL20807625 0.92 RXFP1 (0.52) RXFP1SMN1; SMN2GAANPC1RAB9A
SCHEMBL479601 0.91 RXFP1 (0.49) RXFP1SMN1; SMN2GAANPC1RAB9A

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
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 US disclosed