SCHEMBL28010853

SCHEMBL28010853

Cc1cc(OCc2ccccc2)cc2c1cc(C(N)=O)n2C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.47
MTOR P42345 1/20 0.47
HTR3A P46098 2/20 0.43
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
HRH3 Q9Y5N1 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SPHK1 Q9NYA1 2/20 0.40
PARP10 Q53GL7 1/20 0.40
CYP2D6 P10635 2/20 0.40
SPHK2 Q9NRA0 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL28010850 0.78 GAA (0.44) PRKDCMTORMEN1KMT2APOLB
SCHEMBL26581295 0.74 SRD5A2 (0.62) S1PR1S1PR5MEN1KMT2ANPC1
SCHEMBL14382486 0.70 BMPR2 (0.46) SPHK1PARP10SPHK2
SCHEMBL5526918 0.68 CHEK2 (0.52) PARP10
SCHEMBL21390699 0.67 HRH3 (0.42) PRKDCMTORHTR3AHRH3MEN1
SCHEMBL28331999 0.67 PLA2G10 (0.48) MEN1KMT2A
SCHEMBL14382502 0.67 BMPR2 (0.49) SPHK1SPHK2
SCHEMBL4846094 0.66 C5AR1 (0.47) S1PR1S1PR5MEN1KMT2APARP10
SCHEMBL2361663 0.65 HRH3 (0.49) PRKDCMTORHRH3CYP2D6NPC1
SCHEMBL597702 0.65 MEN1 (0.63) S1PR1S1PR5MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104603106-B Indole carboxamide derivatives and uses thereof 诺华股份有限公司 2017-05-10 CN disclosed
CN-104603106-A Indole carboxamide derivatives and uses thereof NOVARTIS AG 2015-05-06 CN disclosed