SCHEMBL21189394

SCHEMBL21189394

C#CNc1ccc(CC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
MEN1 O00255 1/20 0.42
APAF1 O14727 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2A6 P11509 1/20 0.41
SRC P12931 1/20 0.40
CXCR4 P61073 1/20 0.40
RAB9A P51151 4/20 0.39

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
SCHEMBL3560235 0.77 HPGD (0.46) HPGDMEN1APAF1USP2ALDH1A1
SCHEMBL12364019 0.77 CYP2A6 (0.52) HPGDMEN1APAF1USP2ALDH1A1
SCHEMBL10467227 0.77 HPGD (0.42) HPGDMEN1APAF1USP2ALDH1A1
SCHEMBL22991292 0.77 SMN1; SMN2 (0.41) HPGDMEN1ALDH1A1GAAMAPT
SCHEMBL20540341 0.76 MAPT (0.52) HPGDMEN1APAF1USP2ALDH1A1
SCHEMBL19940238 0.74 TAAR1 (0.45) ALDH1A1BLMKMT2AL3MBTL1CYP2A6
SCHEMBL10970038 0.73 HPGD (0.47) HPGDMEN1APAF1USP2ALDH1A1
SCHEMBL49571 0.72 RAB9A (0.55) HPGDMEN1APAF1USP2ALDH1A1
SCHEMBL36295 0.71 TP53 (0.67) ALDH1A1MAPK1L3MBTL1CYP2A6TP53
SCHEMBL2720527 0.70 HPGD (0.48) HPGDMEN1APAF1USP2ALDH1A1

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-3744710-A1 COMPOUND, RESIN, COMPOSITION, AND PATTERN FORMING METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-12-02 EP disclosed
WO-2019142897-A1 COMPOUND, RESIN, COMPOSITION, AND PATTERN FORMING METHOD 三菱瓦斯化学株式会社 2019-07-25 WO disclosed