SCHEMBL12818708

SCHEMBL12818708

Cc1nc2ccc(S(=O)(=O)N3CCOc4ccc(-c5c(C)noc5C)cc43)cc2s1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 6/20 0.45
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM2B Q8NHM5 1/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ PKM P14618 3/20 0.42
▸ PKLR P30613 1/20 0.42
▸ BRD2 P25440 5/20 0.41
▸ BRD3 Q15059 5/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ USP2 O75604 1/20 0.38

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
SCHEMBL12818772 0.84 BRD4 (0.45) BRD4LMNASMN1; SMN2KDM2BPKM
SCHEMBL12818318 0.82 LMNA (0.42) MAPTLMNAHTTSMN1; SMN2KDM2B
SCHEMBL12818382 0.82 MAPT (0.44) BRD4MAPTLMNAKMT2AMEN1
SCHEMBL12817846 0.81 LMNA (0.43) MAPTLMNAHTTSMN1; SMN2KDM2B
SCHEMBL12818110 0.81 MAPT (0.45) BRD4MAPTKDM2BKMT2AMEN1
SCHEMBL12819198 0.81 LMNA (0.41) MAPTLMNAHTTSMN1; SMN2KDM2B
SCHEMBL12818620 0.80 LMNA (0.42) MAPTLMNAHTTSMN1; SMN2KDM2B
SCHEMBL12817802 0.80 LMNA (0.42) MAPTLMNAHTTSMN1; SMN2KDM2B
SCHEMBL12818029 0.80 MAPT (0.45) BRD4MAPTKMT2AMEN1BRD2
SCHEMBL12818380 0.80 LMNA (0.42) MAPTLMNAHTTSMN1; SMN2KDM2B

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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