SCHEMBL14765475

SCHEMBL14765475

COc1ccc(OCc2nc(-c3ccccc3Cl)cs2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.55
POLB P06746 2/20 0.55
CYP1A2 P05177 2/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1B1 Q16678 1/20 0.47
PIK3CD O00329 1/20 0.47
MAPT P10636 8/20 0.47
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
HSP90AA1 P07900 1/20 0.47
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CYP19A1 P11511 1/20 0.46
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL14765481 0.90 MAPT (0.47) L3MBTL1POLBMAPTRAB9ANPC1
SCHEMBL14765485 0.90 BCHE (0.49) L3MBTL1POLBMAPTRAB9ANPC1
SCHEMBL14765480 0.89 L3MBTL1 (0.53) L3MBTL1POLBMAPTRAB9ANPC1
SCHEMBL14765476 0.89 CYP1A2 (0.50) L3MBTL1POLBCYP1A2CYP1A1CYP1B1
SCHEMBL14765486 0.86 L3MBTL1 (0.45) L3MBTL1POLBCYP1A2CYP1A1CYP1B1
SCHEMBL14765488 0.84 L3MBTL1 (0.45) L3MBTL1POLBCYP1A2CYP1A1CYP1B1
SCHEMBL13484545 0.83 PPARD (0.53) L3MBTL1CYP1A2MAPTRAB9ANPC1
SCHEMBL13484565 0.83 NPC1 (0.60) L3MBTL1MAPTRAB9ANPC1ALDH1A1
SCHEMBL13484542 0.81 PPARD (0.50) L3MBTL1MAPTRAB9ANPC1ALDH1A1
SCHEMBL13484547 0.81 PPARG (0.48) L3MBTL1CYP1A2MAPTRAB9ANPC1

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