SCHEMBL12818060

SCHEMBL12818060

Cn1ccc2cc(S(=O)(=O)N3CCSc4ccc(-c5cnco5)cc43)ccc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM2B Q8NHM5 1/20 0.39
▸ PKM P14618 2/20 0.38
▸ PKLR P30613 1/20 0.38
▸ THRB P10828 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ CPT2 P23786 2/20 0.33
▸ CPT1A P50416 2/20 0.33
▸ CPT1B Q92523 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ GHSR Q92847 1/20 0.33
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ TP53 P04637 2/20 0.32

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
SCHEMBL12819192 0.83 MEN1 (0.40) KDM2BPKMPKLRTHRBLMNA
SCHEMBL12817661 0.81 PKM (0.43) KDM2BPKMPKLRTHRBLMNA
SCHEMBL12817919 0.81 BRD4 (0.41) KDM2BPKMPKLRGPR119
SCHEMBL12818569 0.80 PKM (0.42) KDM2BPKMPKLRLMNACPT2
SCHEMBL12818293 0.80 CPT2 (0.35) PKMLMNACPT2CPT1ACPT1B
SCHEMBL12817651 0.80 PKM (0.43) KDM2BPKMPKLRTHRBLMNA
SCHEMBL12818592 0.79 HTR6 (0.40) KDM2BPKMPKLRTHRBLMNA
SCHEMBL12817855 0.79 KDM2B (0.37) KDM2BPKMPKLRTHRBLMNA
SCHEMBL12817775 0.79 GAA (0.40) PKMCPT2CPT1ACPT1BCNR1
SCHEMBL12817886 0.78 PKM (0.41) KDM2BPKMPKLRTHRBLMNA

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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