SCHEMBL3380430

SCHEMBL3380430

Cc1cn2cc(CBr)cc(-c3cccc(Cl)c3)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
DHFR P00374 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
TRPA1 O75762 1/20 0.35
MEN1 O00255 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL7905671 0.82 PDE4D (0.39) MAOBDHFRLMNARAB9ANPC1
SCHEMBL3379763 0.79 TRPM8 (0.39) KMT2A
SCHEMBL3378478 0.79 DHFR (0.39) DHFRSMN1; SMN2LMNAKMT2AMAPT
SCHEMBL3459398 0.79 SMN1; SMN2 (0.35) MAOBDHFRSMN1; SMN2LMNAKMT2A
SCHEMBL3379685 0.79 DPP4 (0.39) MAOBDHFRSMN1; SMN2LMNAKMT2A
SCHEMBL7931521 0.78 ADORA3 (0.39) MAOBLMNAMAPTRAB9AKDM4E
SCHEMBL7928996 0.76 GRM2 (0.35) MAOBLMNAKMT2AMAPTRAB9A
SCHEMBL3377711 0.76 KMT2A (0.40) SMN1; SMN2KMT2AMAPTRAB9ANPC1
SCHEMBL3377892 0.75 GRM5 (0.57) SMN1; SMN2MAPTRAB9ANPC1KDM4E
SCHEMBL3380818 0.74 PDE4D (0.40) SMN1; SMN2KMT2ANPC1KDM4EHPGD

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-2010059836-A1 SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed