SCHEMBL28074757

SCHEMBL28074757

CC[N+](C)(CC)C(C)c1c2ccccc2cc2ccccc12.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTR2A P28223 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.30
RAD52 P43351 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL17763376 0.72 HTR2A (0.41) MEN1KMT2AHTR2AL3MBTL1POLB
SCHEMBL8209772 0.67 HTR2A (0.43) MEN1KMT2AHTR2AL3MBTL1KDM4E
SCHEMBL7550193 0.66 ALDH1A1 (0.38) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL7553273 0.66 CHRM4 (0.36) KDM4EALDH1A1HSD17B10
SCHEMBL18949976 0.66 HTR2A (0.42) MEN1KMT2AHTR2AL3MBTL1KDM4E
SCHEMBL29853914 0.65 HTR2A (0.38) MEN1KMT2AHTR2AL3MBTL1KDM4E
SCHEMBL4647793 0.65 HTR2A (0.38) MEN1KMT2AHTR2AL3MBTL1KDM4E
Tetrylammonium SCHEMBL381518 0.64 CHRNA7 (0.42) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL40806 0.64 ALDH1A1 (0.44) MEN1KMT2AHTR2AL3MBTL1KDM4E
SCHEMBL8390866 0.64 TAAR1 (0.39) MEN1KMT2AALDH1A1HSD17B10

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
CN-105392845-B Photocurable composition 思美定株式会社 2020-10-20 CN disclosed
CN-105829485-A Photocurable Composition Having Adhesive Properties 思美定株式会社 2016-08-03 CN disclosed