SCHEMBL23630503

SCHEMBL23630503

BrC1(c2ccccc2)c2ccccc2-c2c1ccc1ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.38
DHFR P00374 2/20 0.35
TYMS P04818 2/20 0.35
WDR5 P61964 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 3/20 0.34
CYP2A6 P11509 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NSD2 O96028 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
SOS1 Q07889 1/20 0.33
MAPT P10636 2/20 0.33
HPRT1 P00492 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP1B1 Q16678 2/20 0.31
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL15676320 0.80 MAPT (0.42) DNMT1DHFRTYMSWDR5ALDH1A1
SCHEMBL29557713 0.80 MAPT (0.42) DNMT1DHFRTYMSWDR5ALDH1A1
SCHEMBL29769743 0.76 CFTR (0.42) TDP1MAPTMEN1RAB9AKMT2A
SCHEMBL304931 0.76 CFTR (0.42) TDP1MAPTMEN1RAB9AKMT2A
SCHEMBL29473425 0.74 DNMT1 (0.43) DNMT1DHFRTYMSWDR5ALDH1A1
SCHEMBL19974142 0.74 DNMT1 (0.43) DNMT1DHFRTYMSWDR5ALDH1A1
SCHEMBL20127213 0.73 SLC6A3 (0.42) DNMT1DHFRTYMSWDR5CYP2A6
SCHEMBL34464578 0.73 NPSR1 (0.34) DNMT1DHFRTYMSCYP2A6OPRM1
SCHEMBL29892420 0.73 DNMT1 (0.42) DNMT1DHFRTYMSWDR5ALDH1A1
SCHEMBL13765088 0.73 DNMT1 (0.42) DNMT1DHFRTYMSWDR5ALDH1A1

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
WO-2021141356-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-07-15 WO disclosed
WO-2021141356-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-07-15 WO disclosed