SCHEMBL14765480

SCHEMBL14765480

Clc1ccccc1-c1csc(COc2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.53
ALDH1A1 P00352 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPT P10636 6/20 0.50
CYP19A1 P11511 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
THRB P10828 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ATP4A P20648 3/20 0.45
ATP4B P51164 3/20 0.45
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 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
SCHEMBL14765485 0.89 BCHE (0.49) L3MBTL1ALDH1A1NPSR1MAPTCYP19A1
SCHEMBL14765481 0.89 MAPT (0.47) L3MBTL1ALDH1A1NPSR1MAPTCYP19A1
SCHEMBL14765475 0.89 L3MBTL1 (0.55) L3MBTL1ALDH1A1NPSR1MAPTCYP19A1
SCHEMBL13484545 0.88 PPARD (0.53) L3MBTL1ALDH1A1NPSR1MAPTCYP19A1
SCHEMBL13484565 0.88 NPC1 (0.60) L3MBTL1ALDH1A1NPSR1MAPTCYP19A1
SCHEMBL14765476 0.86 CYP1A2 (0.50) L3MBTL1ALDH1A1NPSR1MAPTCYP19A1
SCHEMBL14765486 0.86 L3MBTL1 (0.45) L3MBTL1ALDH1A1NPSR1MAPTCYP19A1
SCHEMBL14765488 0.86 L3MBTL1 (0.45) L3MBTL1ALDH1A1NPSR1MAPTCYP19A1
SCHEMBL13484542 0.86 PPARD (0.50) L3MBTL1ALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL13484544 0.85 PPARD (0.53) L3MBTL1ALDH1A1NPSR1MAPTSMN1; SMN2

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-8394841-B2 Compounds and methods for modulating G protein-coupled receptors IRM LLC (BM) 2013-03-12 US disclosed