SCHEMBL15977474

SCHEMBL15977474

c1ccc(-c2ccc(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.44
CYP11B2 P19099 3/20 0.44
CYP17A1 P05093 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
HSD17B1 P14061 2/20 0.40
HSD17B2 P37059 2/20 0.40
DHODH Q02127 1/20 0.38
ESR1 P03372 4/20 0.38
ESR2 Q92731 4/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38
HPGDS O60760 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL15977545 1.00 CYP11B1 (0.44) CYP11B1CYP11B2CYP17A1CYP19A1CYP1A1
SCHEMBL15977762 0.99 CYP11B1 (0.45) CYP11B1CYP11B2CYP17A1CYP19A1CYP1A1
SCHEMBL12436005 0.96 CYP11B1 (0.45) CYP11B1CYP11B2CYP17A1CYP19A1CYP1A1
SCHEMBL15977420 0.96 CYP1A1 (0.43) CYP11B1CYP11B2CYP17A1CYP19A1CYP1A1
SCHEMBL12571838 0.94 CYP11B1 (0.43) CYP11B1CYP11B2CYP17A1CYP19A1CYP1A1
SCHEMBL19978490 0.93 CYP11B1 (0.44) CYP11B1CYP11B2CYP17A1CYP19A1CYP1A1
SCHEMBL12322257 0.92 CYP11B1 (0.45) CYP11B1CYP11B2CYP17A1CYP19A1CYP1A1
SCHEMBL15977746 0.91 MEN1 (0.44) CYP11B1CYP11B2CYP17A1CYP19A1CYP1A1
SCHEMBL18431627 0.90 CYP11B1 (0.42) CYP11B1CYP11B2CYP17A1CYP19A1CYP1A1
SCHEMBL12436891 0.90 CYP1A1 (0.47) CYP11B1CYP11B2CYP17A1CYP19A1CYP1A1

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-9559311-B2 Anthracene derivative, organic-electroluminescence-device material, organic electroluminescence device, and electronic equipment IDEMITSU KOSAN CO., LTD. (JP) 2017-01-31 US disclosed
US-9559311-B2 Anthracene derivative, organic-electroluminescence-device material, organic electroluminescence device, and electronic equipment IDEMITSU KOSAN CO., LTD. (JP) 2017-01-31 US disclosed
US-20140239273-A1 ANTHRACENE DERIVATIVE, ORGANIC-ELECTROLUMINESCENCE-DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-08-28 US disclosed
US-20140239273-A1 ANTHRACENE DERIVATIVE, ORGANIC-ELECTROLUMINESCENCE-DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-08-28 US disclosed