SCHEMBL20698490

SCHEMBL20698490

c1ccc(-c2ccc3ccc(-c4ccc5ccc6c(-c7ccc8c(c7)oc7ccc(-c9ccc%10ccc%11ccc%12ccccc%12c%11c%10c9)cc78)cc7ccccc7c6c5c4)cc3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.38
PAX8 Q06710 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
FYN P06241 1/20 0.38
MAPK3 P27361 1/20 0.38
AHR P35869 1/20 0.38
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PGR P06401 1/20 0.36
GPR84 Q9NQS5 2/20 0.36

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
SCHEMBL22617992 0.88 PGR (0.38) ABCG2PAX8CYP1A1CYP1A2FYN
SCHEMBL12037164 0.87 ABCG2 (0.41) ABCG2PAX8CYP1A1CYP1A2FYN
SCHEMBL12037247 0.87 TDP1 (0.38) ABCG2PAX8CYP1A1CYP1A2FYN
SCHEMBL12037357 0.87 ABCG2 (0.44) ABCG2PAX8CYP1A1CYP1A2FYN
SCHEMBL12037391 0.86 PGR (0.43) ABCG2PAX8CYP1A1CYP1A2FYN
SCHEMBL12037214 0.86 PGR (0.40) ABCG2PAX8CYP1A1CYP1A2FYN
SCHEMBL20698644 0.85 PRKDC (0.33) ABCG2PAX8CYP1A1CYP1A2FYN
SCHEMBL12037251 0.84 TDP1 (0.42) ABCG2PAX8CYP1A1CYP1A2FYN
SCHEMBL17692091 0.84 TDP1 (0.49) ABCG2PAX8CYP1A1CYP1A2FYN
SCHEMBL12037165 0.83 ABCG2 (0.42) ABCG2PAX8CYP1A1CYP1A2FYN

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
US-20190036043-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-01-31 US disclosed