SCHEMBL12819192

SCHEMBL12819192

Cn1ccc2cc(S(=O)(=O)N3CCOc4ccc(-c5cnco5)cc43)ccc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ KDM2B Q8NHM5 1/20 0.39
▸ PKM P14618 2/20 0.39
▸ PKLR P30613 2/20 0.39
▸ PDE3B Q13370 4/20 0.38
▸ PDE3A Q14432 4/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ THRB P10828 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 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
SCHEMBL12818722 0.86 KDM2B (0.41) MEN1KMT2AKDM2BPKMPKLR
SCHEMBL12818629 0.85 HTR6 (0.41) MEN1KMT2AKDM2BPKMPKLR
SCHEMBL12818060 0.83 KDM2B (0.39) KDM2BPKMPKLRMAPTTP53
SCHEMBL12819074 0.83 CYP2C9 (0.51) MEN1KMT2AKDM2BPKMPKLR
SCHEMBL12817704 0.83 KDM2B (0.40) MEN1KMT2AKDM2BPKMPKLR
SCHEMBL12818685 0.81 PKM (0.38) MEN1KMT2AKDM2BPKMPKLR
SCHEMBL12818264 0.81 PDE3B (0.39) MEN1KMT2AKDM2BPKMPKLR
SCHEMBL12818110 0.80 MAPT (0.45) MEN1KMT2AKDM2BPKMPKLR
SCHEMBL12817618 0.80 MEN1 (0.41) MEN1KMT2APDE3BPDE3ACYP2C9
SCHEMBL12817846 0.79 LMNA (0.43) MEN1KMT2AKDM2BPKMPKLR

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 1 patent. 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 disclosed
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