SCHEMBL25873448

SCHEMBL25873448

c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2cccc3c2oc2ccc4ccccc4c23)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.33
CYP1A1 P04798 2/20 0.33
CYP1A2 P05177 2/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FYN P06241 1/20 0.33
MAPK3 P27361 1/20 0.33
PAX8 Q06710 1/20 0.33
GPR3 P46089 1/20 0.31
NQO1 P15559 1/20 0.31
NQO2 P16083 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1B1 Q16678 1/20 0.31
ESR2 Q92731 1/20 0.31
ELANE P08246 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
SCHEMBL25872876 0.95 CYP1A1 (0.36) AHRCYP1A1CYP1A2ABCG2ALDH1A1
SCHEMBL25873435 0.93 ALDH1A1 (0.33) AHRCYP1A1CYP1A2ABCG2ALDH1A1
SCHEMBL25641618 0.92 ESR2 (0.33) AHRCYP1A1CYP1A2ABCG2FYN
SCHEMBL25639808 0.92 CYP1A1 (0.31) AHRCYP1A1CYP1A2ABCG2ALDH1A1
SCHEMBL25516518 0.90 TDP1 (0.34) AHRCYP1A2ALDH1A1MAPTHPGD
SCHEMBL25640758 0.90 ESR2 (0.33) AHRCYP1A1CYP1A2ABCG2FYN
SCHEMBL21968769 0.90 ALDH1A1 (0.35) AHRALDH1A1MAPTHPGDRAB9A
SCHEMBL21968761 0.90 ALDH1A1 (0.35) AHRALDH1A1MAPTHPGDRAB9A
SCHEMBL17382956 0.89 ABCG2 (0.36) AHRCYP1A1CYP1A2ABCG2RAB9A
SCHEMBL24152266 0.89 ABCG2 (0.32) AHRCYP1A1CYP1A2ABCG2ALDH1A1

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
WO-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 WO disclosed