SCHEMBL9702241

SCHEMBL9702241

CC(C)=CCN1Cc2cccc([N+](=O)[O-])c2NCC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
PDE4A P27815 1/20 0.32
KMT2A Q03164 1/20 0.31
ERN1 O75460 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
HPGD P15428 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GPR35 Q9HC97 1/20 0.30

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
SCHEMBL9701190 0.81 SIGMAR1 (0.33) SIGMAR1
SCHEMBL9436772 0.76 CHRNB2 (0.34) RAB9ATAS1R3TAS1R1TAS1R2PDE4A
SCHEMBL9535908 0.76 CHRNB2 (0.34) RAB9ATAS1R3TAS1R1TAS1R2PDE4A
SCHEMBL9701430 0.71 CA1 (0.33) RAB9ATAS1R3TAS1R1TAS1R2LMNA
SCHEMBL9700197 0.69 MAOB (0.32) TAS1R3TAS1R1TAS1R2KMT2AKDM4E
SCHEMBL9701418 0.68 CHRNB2 (0.40) RAB9AKMT2AKDM4EALDH1A1CYP3A4
SCHEMBL19582451 0.67 MAPT (0.41) RAB9AKMT2ALMNAALDH1A1SIGMAR1
SCHEMBL9702535 0.67 MAPT (0.35) RAB9AKDM4ELMNAALDH1A1CYP3A4
SCHEMBL7902260 0.65 CYP1A2 (0.35) RAB9AKMT2AERN1KDM4EALDH1A1
SCHEMBL7902256 0.65 CYP1A2 (0.35) RAB9AKMT2AERN1KDM4EALDH1A1

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-1992013860-A1 NEW 4,5,6,7-TETRAHYDRO-IMIDAZO-[4,5,lJK][1,4]-BENZODIAZEPINE-2-(1H)-THIONES, A METHOD OF PREPARING THEM AS WELL AS DRUGS CONTAINING THEM, AND INTERMEDIATES FOR THE PREPARATION OF THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1992-08-20 WO disclosed