SCHEMBL15977477

SCHEMBL15977477

Cc1cncc(-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.45
CYP11B2 P19099 8/20 0.45
CYP17A1 P05093 1/20 0.44
CYP19A1 P11511 1/20 0.44
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
IKBKB O14920 1/20 0.39
CDK7 P50613 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL15977578 0.99 CYP11B2 (0.45) CYP11B1CYP11B2CYP17A1CYP19A1PRMT5
SCHEMBL18174552 0.97 CYP11B2 (0.45) CYP11B1CYP11B2CYP17A1CYP19A1PRMT5
SCHEMBL10032747 0.93 CYP11B1 (0.44) CYP11B1CYP11B2CYP17A1CYP19A1CYP1A2
SCHEMBL10032167 0.91 CYP11B2 (0.50) CYP11B1CYP11B2CYP17A1CYP19A1CYP1A2
SCHEMBL10032763 0.90 CYP11B2 (0.49) CYP11B1CYP11B2CYP17A1CYP19A1CYP1A2
SCHEMBL10032881 0.90 CYP11B2 (0.49) CYP11B1CYP11B2CYP17A1CYP19A1CYP1A2
SCHEMBL10032719 0.87 CYP11B2 (0.51) CYP11B1CYP11B2CYP17A1CYP19A1CYP1A2
SCHEMBL15977553 0.87 CYP11B1 (0.55) CYP11B1CYP11B2CYP17A1CYP19A1CYP1A2
SCHEMBL15977760 0.87 CYP11B1 (0.55) CYP11B1CYP11B2CYP17A1CYP19A1CYP1A2
SCHEMBL15160990 0.86 CYP11B1 (0.43) CYP11B1CYP11B2PRMT5WDR77CYP3A4

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