SCHEMBL12819198

SCHEMBL12819198

Cc1nc2ccc(S(=O)(=O)N3CCOc4ccc(-c5ncc(C#N)s5)cc43)cc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.41
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ HTT P42858 2/20 0.41
▸ PKM P14618 2/20 0.40
▸ PKLR P30613 1/20 0.40
▸ KDM2B Q8NHM5 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.38
▸ HPGD P15428 5/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CPT1A P50416 2/20 0.37
▸ CPT1B Q92523 2/20 0.37
▸ CHRM5 P08912 1/20 0.37
▸ GAA P10253 2/20 0.37

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
SCHEMBL12818373 0.88 SMN1; SMN2 (0.42) LMNASMN1; SMN2HTTPKMPKLR
SCHEMBL12818394 0.87 LMNA (0.41) LMNASMN1; SMN2HTTPKMPKLR
SCHEMBL12817802 0.87 LMNA (0.42) LMNASMN1; SMN2HTTPKMPKLR
SCHEMBL1817591 0.86 CYP2C9 (0.51) LMNAPKMALDH1A1TSHRMEN1
SCHEMBL12818380 0.86 LMNA (0.42) LMNASMN1; SMN2HTTPKMPKLR
SCHEMBL12818817 0.85 LMNA (0.40) LMNASMN1; SMN2HTTPKMPKLR
SCHEMBL12818698 0.85 CYP2C9 (0.37) SMN1; SMN2HTTALDH1A1HPGDKDM4E
SCHEMBL12818239 0.84 PKM (0.41) LMNASMN1; SMN2HTTPKMPKLR
SCHEMBL12818343 0.84 LMNA (0.41) LMNASMN1; SMN2HTTPKMPKLR
SCHEMBL12818498 0.83 PKM (0.41) LMNASMN1; SMN2HTTPKMPKLR

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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