SCHEMBL15977653

SCHEMBL15977653

c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc(-c6ncncn6)nc5)ccc34)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.41
CYP11B2 P19099 5/20 0.41
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
PIK3CD O00329 2/20 0.37
PIK3CA P42336 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
KLF5 Q13887 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GSK3A P49840 1/20 0.34

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
SCHEMBL15977589 0.99 CYP11B1 (0.40) CYP11B1CYP11B2CYP17A1CYP19A1KDM4E
SCHEMBL15977748 0.92 CYP11B1 (0.37) CYP11B1CYP11B2CYP17A1CYP19A1KDM4E
SCHEMBL15978588 0.90 CYP11B2 (0.44) CYP11B1CYP11B2CYP17A1CYP19A1KDM4E
SCHEMBL15977404 0.90 CYP11B1 (0.43) CYP11B1CYP11B2CYP17A1CYP19A1KDM4E
SCHEMBL15977884 0.89 CYP11B1 (0.42) CYP11B1CYP11B2CYP17A1CYP19A1KDM4E
SCHEMBL15978577 0.88 CYP11B2 (0.43) CYP11B1CYP11B2CYP17A1CYP19A1KDM4E
SCHEMBL12322257 0.88 CYP11B1 (0.45) CYP11B1CYP11B2CYP17A1CYP19A1KDM4E
SCHEMBL10300975 0.87 HSD17B1 (0.38) CYP11B1CYP11B2PIK3CDPIK3CASMN1; SMN2
SCHEMBL19978490 0.87 CYP11B1 (0.44) CYP11B1CYP11B2CYP17A1CYP19A1KDM4E
SCHEMBL15977879 0.86 HSD17B1 (0.37) CYP11B1CYP11B2MAPK10PIK3CDPIK3CA

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