SCHEMBL12818498

SCHEMBL12818498

Cc1nc2ccc(S(=O)(=O)N3CCOc4ccc(-c5ccc(C#N)[nH]5)cc43)cc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 3/20 0.41
▸ PKLR P30613 1/20 0.41
▸ LMNA P02545 5/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ HTT P42858 2/20 0.41
▸ KDM2B Q8NHM5 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ HPGD P15428 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PDE3B Q13370 1/20 0.35

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
SCHEMBL12818489 0.85 PKM (0.42) PKMPKLRLMNASMN1; SMN2HTT
SCHEMBL12817802 0.84 LMNA (0.42) PKMPKLRLMNASMN1; SMN2HTT
SCHEMBL12818373 0.84 SMN1; SMN2 (0.42) PKMPKLRLMNASMN1; SMN2HTT
SCHEMBL12818380 0.84 LMNA (0.42) PKMPKLRLMNASMN1; SMN2HTT
SCHEMBL12818787 0.83 PKM (0.41) PKMPKLRLMNASMN1; SMN2KDM2B
SCHEMBL12818703 0.83 PKM (0.41) PKMPKLRLMNASMN1; SMN2HTT
SCHEMBL12818343 0.83 LMNA (0.41) PKMPKLRLMNASMN1; SMN2HTT
SCHEMBL12819198 0.83 LMNA (0.41) PKMPKLRLMNASMN1; SMN2HTT
SCHEMBL12818994 0.83 PGR (0.39) PKMPKLRSMN1; SMN2HTTALDH1A1
SCHEMBL12818394 0.83 LMNA (0.41) PKMPKLRLMNASMN1; SMN2HTT

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
Send feedback