SCHEMBL19806035

SCHEMBL19806035

C=CNCc1ccc2nnn(C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.41
KEAP1 Q14145 1/20 0.41
HPGD P15428 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 2/20 0.38
SLC6A4 P31645 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 3/20 0.37
NOTUM Q6P988 1/20 0.36
GRM4 Q14833 1/20 0.35
NSD2 O96028 1/20 0.34
CHRM4 P08173 1/20 0.34
HCAR3 P49019 1/20 0.34
CYP19A1 P11511 4/20 0.33
CYP11B1 P15538 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33

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
SCHEMBL12560105 0.76 SLC9A1 (0.50) SLC9A1KEAP1HPGDALDH1A1HSD17B10
SCHEMBL8445272 0.74 SLC9A1 (0.48) SLC9A1KEAP1HPGDALDH1A1HSD17B10
SCHEMBL29490311 0.74 SLC9A1 (0.48) SLC9A1KEAP1HPGDALDH1A1HSD17B10
SCHEMBL22862868 0.74 KEAP1 (0.48) SLC9A1KEAP1HPGDALDH1A1HSD17B10
SCHEMBL282111 0.74 SLC9A1 (0.48) SLC9A1KEAP1HPGDALDH1A1HSD17B10
SCHEMBL29975783 0.74 SLC9A1 (0.48) SLC9A1KEAP1HPGDALDH1A1HSD17B10
SCHEMBL8828592 0.73 SLC9A1 (0.47) SLC9A1KEAP1HPGDALDH1A1HSD17B10
SCHEMBL27661677 0.72 KEAP1 (0.46) SLC9A1KEAP1HPGDALDH1A1HSD17B10
SCHEMBL10130169 0.72 KEAP1 (0.46) SLC9A1KEAP1HPGDALDH1A1HSD17B10
SCHEMBL8771320 0.72 SLC9A1 (0.46) SLC9A1KEAP1HPGDMAPTSLC6A4

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
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 EP disclosed
WO-2018014802-A1 APOPTOSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-01-25 WO disclosed