SCHEMBL14732085

SCHEMBL14732085

CC(=O)Nc1c(Sc2nnc(CNc3cccc(Cl)c3)n2C)ccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ POLB P06746 1/20 0.48
▸ LMNA P02545 4/20 0.47
▸ MAPT P10636 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.44
▸ TSHR P16473 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HTT P42858 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PTGES O14684 1/20 0.38
▸ ROCK2 O75116 2/20 0.38
▸ GRK2 P25098 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ PRKCA P17252 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36

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
SCHEMBL14732160 0.90 TSHR (0.54) L3MBTL1POLBLMNAALDH1A1TSHR
SCHEMBL14732175 0.78 KMT2A (0.43) LMNAMAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL14732107 0.78 RORC (0.45) LMNAMAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL14732084 0.77 L3MBTL1 (0.62) L3MBTL1POLBLMNAMAPTALDH1A1
SCHEMBL19367949 0.72 L3MBTL1 (0.55) L3MBTL1POLBLMNAMAPTALDH1A1
SCHEMBL14732159 0.69 SMN1; SMN2 (0.67) LMNAMAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL19368299 0.64 LMNA (0.60) L3MBTL1LMNAMAPTALDH1A1TSHR
SCHEMBL4203551 0.62 TSHR (0.70) L3MBTL1LMNAMAPTALDH1A1TSHR
SCHEMBL357999 0.60 MEN1 (0.71) POLBLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL4740561 0.59 ABCG2 (0.49) MAPTALDH1A1SMN1; SMN2HTTMEN1

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-8389739-B1 Modulators of retinoid-related orphan receptor gamma Orphagen Pharmaceuticals (US) 2013-03-05 — — US disclosed
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