SCHEMBL12818382

SCHEMBL12818382

Cc1nc2cc(S(=O)(=O)N3CCOc4ccc(-c5c(C)noc5C)cc43)ccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42
▸ BRD4 O60885 7/20 0.41
▸ BRD2 P25440 6/20 0.41
▸ BRD3 Q15059 6/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CYP2C9 P11712 1/20 0.40
▸ TP53 P04637 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ DRD2 P14416 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
SCHEMBL12817768 0.83 BRD4 (0.40) MAPTALDH1A1HPGDALOX15HSD17B10
SCHEMBL12818708 0.82 BRD4 (0.45) MAPTALDH1A1BRD4BRD2BRD3
SCHEMBL12818110 0.81 MAPT (0.45) MAPTBRD4BRD2BRD3MEN1
SCHEMBL12818134 0.81 CYP2C9 (0.40) MAPTALDH1A1MEN1KMT2ACYP2C9
SCHEMBL12817618 0.81 MEN1 (0.41) MAPTALDH1A1MEN1KMT2ACYP2C9
SCHEMBL12818102 0.80 BRD4 (0.45) MAPTBRD4BRD2BRD3MEN1
SCHEMBL12818652 0.79 MEN1 (0.40) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL12818698 0.79 CYP2C9 (0.37) MAPTALDH1A1HPGDALOX15HSD17B10
SCHEMBL12817667 0.79 PGR (0.39) MAPTALDH1A1HPGDALOX15HSD17B10
SCHEMBL12817769 0.79 CYP2C9 (0.38) MAPTALDH1A1HPGDMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012130306-A1 BICYCLIC 2,3-DIHYRDOBENZAZINE COMPOUNDS FOR USE IN THERAPY ELARA PHARMACEUTICALS GMBH (DE) 2012-10-04 — — WO claimed
WO-2012130306-A1 BICYCLIC 2,3-DIHYRDOBENZAZINE COMPOUNDS FOR USE IN THERAPY ELARA PHARMACEUTICALS GMBH (DE) 2012-10-04 — — WO disclosed
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