SCHEMBL15949129

SCHEMBL15949129

Cc1ccccc1C(CC(=O)c1ccncc1)c1ccc(N2CCN(S(C)(=O)=O)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
USP2 O75604 3/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP17A1 P05093 2/20 0.39
CYP21A2 P08686 2/20 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
SCHEMBL15949153 0.89 GPBAR1 (0.49) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL15949155 0.89 GPBAR1 (0.49) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1389667 0.89 GPBAR1 (0.49) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1389663 0.89 GPBAR1 (0.49) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1389666 0.89 GPBAR1 (0.49) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL15949095 0.87 HPGD (0.44) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL15949146 0.86 PLOD2 (0.50) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1389528 0.79 GPBAR1 (0.63) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1389527 0.79 GPBAR1 (0.63) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1389525 0.79 GPBAR1 (0.63) MAPTSMN1; SMN2MEN1KMT2AALDH1A1

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