SCHEMBL10149545

SCHEMBL10149545

CCc1cccn2ccc(N)c12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GABRA1 P14867 3/20 0.35
GABRB2 P47870 3/20 0.35
MGLL Q99685 1/20 0.33
ELANE P08246 1/20 0.33
DHFR P00374 1/20 0.33
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
RAPGEF4 Q8WZA2 3/20 0.31
TLR8 Q9NR97 1/20 0.30
GAA P10253 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
SCHEMBL10123599 0.74 TSHR (0.37) MEN1KMT2AKDM4EALDH1A1GABRA1
SCHEMBL23116419 0.72 GABRA1 (0.33) KDM4EALDH1A1CASP1HSD17B10GABRA1
SCHEMBL39547 0.68
SCHEMBL29565534 0.68
Bromide SCHEMBL28472529 0.66 CYP3A4 (0.47) MAPTKDM4EALDH1A1ALOX15CASP1
Water SCHEMBL27919614 0.66 CYP3A4 (0.47) MAPTKDM4EALDH1A1ALOX15CASP1
Ammonia Solution, Strong SCHEMBL27637031 0.66 CYP3A4 (0.47) MAPTKDM4EALDH1A1ALOX15CASP1
Water SCHEMBL17512841 0.66 CYP3A4 (0.47) MAPTKDM4EALDH1A1ALOX15CASP1
Iodide SCHEMBL29238182 0.66 CYP3A4 (0.47) MAPTKDM4EALDH1A1ALOX15CASP1
Hydrochloric Acid SCHEMBL1585890 0.66 CYP3A4 (0.48) MAPTKDM4EALDH1A1ALOX15CASP1

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
EP-2415771-A1 INDOLIZINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2012-02-08 EP disclosed