SCHEMBL17343531

SCHEMBL17343531

c1ccc2cc(-c3ccc4c(c3)nc(-c3ccc5ccccc5c3)c3cc(-c5ccc6ccccc6c5)ccc34)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.45
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ CYP11B1 P15538 2/20 0.42
▸ CYP11B2 P19099 2/20 0.42
▸ CYP17A1 P05093 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ MAPK9 P45984 2/20 0.41
▸ MAPK10 P53779 2/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ ADORA2A P29274 2/20 0.41
▸ ADORA1 P30542 2/20 0.41
▸ HSD17B1 P14061 1/20 0.41
▸ HSD17B2 P37059 1/20 0.41
▸ DHODH Q02127 1/20 0.40
▸ CDK4 P11802 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CDK2 P24941 1/20 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
SCHEMBL17343535 0.95 DHFR (0.46) SRCESR1ESR2CYP11B1CYP11B2
SCHEMBL17343529 0.85 KDM4E (0.46) CYP19A1MAPK9MAPK10MAPK8DHODH
SCHEMBL17343540 0.85 CYP2A6 (0.48) ESR1ESR2CYP11B1CYP11B2CYP17A1
SCHEMBL17343527 0.85 CYP11B2 (0.62) CYP11B1CYP11B2CYP17A1CYP19A1DHODH
SCHEMBL17343522 0.82 DHFR (0.53) ADORA2ADHODHDHFRALDH1A1
SCHEMBL732365 0.82 ADORA2A (0.46) ESR1ESR2CYP11B1CYP11B2CYP17A1
SCHEMBL17343516 0.82 DHFR (0.53) ADORA2ADHODHDHFRALDH1A1
SCHEMBL12578148 0.82 ESR1 (0.42) SRCESR1ESR2CYP11B1CYP11B2
SCHEMBL12578107 0.81 ESR1 (0.44) SRCESR1ESR2CYP11B1CYP11B2
SCHEMBL21667597 0.80 ADORA2A (0.45) SRCESR1ESR2CYP11B1CYP11B2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10038147-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-07-31 — — US disclosed
US-10038147-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-07-31 — — US disclosed
US-20150364698-A1 ORGANIC LIGHT-EMITTING DEVICE INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY (KR) 2015-12-17 — — US disclosed
US-20150364698-A1 ORGANIC LIGHT-EMITTING DEVICE INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY (KR) 2015-12-17 — — US disclosed
Send feedback