SCHEMBL15964256

SCHEMBL15964256

c1ccc2cc(-c3nc(-c4cc(-c5ccc6sc7ccccc7c6c5)cc(-c5ccc6sc7ccccc7c6c5)c4)nc(-c4ccc5sc6ccccc6c5c4)n3)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.40
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
CYP17A1 P05093 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CYP1A2 P05177 4/20 0.36
ALOX5 P09917 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 2/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL15501620 0.96 MEN1 (0.40) GPR3ESR1ESR2CYP17A1CYP19A1
SCHEMBL25817725 0.94 HSD17B1 (0.41) GPR3ESR1ESR2CYP17A1CYP19A1
SCHEMBL23920336 0.94 GPR3 (0.45) GPR3ESR1ESR2CYP17A1CYP19A1
SCHEMBL24266849 0.94 GPR3 (0.45) GPR3ESR1ESR2CYP17A1CYP19A1
SCHEMBL24266731 0.93 GPR3 (0.41) GPR3ESR1ESR2CYP17A1CYP19A1
SCHEMBL27252325 0.92 CYP1A2 (0.41) GPR3CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL23920388 0.91 PIM3 (0.42) GPR3ESR1ESR2CYP17A1CYP19A1
SCHEMBL25817921 0.91 PIM3 (0.40) GPR3ESR1ESR2CYP17A1CYP19A1
SCHEMBL21109065 0.90 CYP1A2 (0.42) GPR3ESR1ESR2CYP17A1CYP19A1
SCHEMBL17693932 0.90 CYP1A2 (0.42) GPR3ESR1ESR2CYP17A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49237-E1 Organic electroluminescence device and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2022-10-04 US disclosed
US-9397307-B2 Organic electroluminescence device and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2016-07-19 US disclosed
US-9397307-B2 Organic electroluminescence device and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2016-07-19 US disclosed
US-20140231769-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2014-08-21 US disclosed
US-20140231769-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2014-08-21 US disclosed