SCHEMBL15949091

SCHEMBL15949091

Cc1cc(C(=O)CC(c2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c2ccccc2C(F)(F)F)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.41
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GPBAR1 Q8TDU6 2/20 0.39
SYK P43405 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 2/20 0.37
USP2 O75604 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 2/20 0.36
HSD11B1 P28845 1/20 0.36
TSHR P16473 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
THRB P10828 1/20 0.35

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
SCHEMBL1390157 0.90 GPBAR1 (0.50) RORCMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1390155 0.90 GPBAR1 (0.50) RORCMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1390152 0.90 GPBAR1 (0.50) RORCMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL15949153 0.89 GPBAR1 (0.49) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL15949155 0.89 GPBAR1 (0.49) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL364333 0.81 GPBAR1 (0.48) RORCGPBAR1SYK
SCHEMBL362568 0.81 GPBAR1 (0.46) KMT2AGPBAR1
SCHEMBL364106 0.79 GPBAR1 (0.60) RORCGPBAR1SYK
SCHEMBL1389527 0.78 GPBAR1 (0.63) RORCMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1389528 0.78 GPBAR1 (0.63) RORCMAPTSMN1; SMN2MEN1KMT2A

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
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP claimed