SCHEMBL12818620

SCHEMBL12818620

COc1ncc(-c2ccc3c(c2)N(S(=O)(=O)c2ccc4nc(C)sc4c2)CCO3)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ HTT P42858 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ALKBH5 Q6P6C2 1/20 0.42
▸ FTO Q9C0B1 1/20 0.42
▸ PKM P14618 2/20 0.41
▸ PKLR P30613 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ TP53 P04637 1/20 0.40
▸ KDM2B Q8NHM5 1/20 0.40
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HPGD P15428 3/20 0.38
▸ KDM4E B2RXH2 2/20 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
SCHEMBL12818373 0.87 SMN1; SMN2 (0.42) LMNASMN1; SMN2HTTCYP2C9PKM
SCHEMBL12818394 0.85 LMNA (0.41) LMNASMN1; SMN2HTTCYP2C9PKM
SCHEMBL12818509 0.84 FTO (0.44) LMNASMN1; SMN2HTTALKBH5FTO
SCHEMBL12818812 0.84 CYP2C9 (0.43) CYP2C9PKMNPC1MEN1KMT2A
SCHEMBL12817846 0.82 LMNA (0.43) LMNASMN1; SMN2HTTCYP2C9PKM
SCHEMBL12819198 0.82 LMNA (0.41) LMNASMN1; SMN2HTTCYP2C9PKM
SCHEMBL12818318 0.81 LMNA (0.42) LMNASMN1; SMN2HTTCYP2C9PKM
SCHEMBL12818380 0.81 LMNA (0.42) LMNASMN1; SMN2HTTCYP2C9PKM
SCHEMBL12818817 0.80 LMNA (0.40) LMNASMN1; SMN2HTTCYP2C9PKM
SCHEMBL12818708 0.80 BRD4 (0.45) LMNASMN1; SMN2HTTCYP2C9PKM

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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