SCHEMBL15977429

SCHEMBL15977429

c1ccc2cc(-c3cc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc(-c4ccc5ccccc5c4)n3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.47
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
AR P10275 2/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CTRC Q99895 1/20 0.41
ESR1 P03372 1/20 0.41

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
SCHEMBL15977414 1.00 CYP1A2 (0.47) CYP1A2CYP1A1CYP1B1ALDH1A1SMN1; SMN2
SCHEMBL15977704 0.98 CYP1A2 (0.46) CYP1A2CYP1A1CYP1B1ALDH1A1SMN1; SMN2
SCHEMBL15977642 0.97 CYP1A1 (0.46) CYP1A2CYP1A1CYP1B1ALDH1A1SMN1; SMN2
SCHEMBL10300984 0.94 CYP1A1 (0.50) CYP1A2CYP1A1CYP1B1ALDH1A1SMN1; SMN2
SCHEMBL10300906 0.94 CYP1A1 (0.50) CYP1A2CYP1A1CYP1B1ALDH1A1SMN1; SMN2
SCHEMBL10300994 0.94 CYP1A1 (0.50) CYP1A2CYP1A1CYP1B1ALDH1A1SMN1; SMN2
SCHEMBL15977636 0.92 CYP1A1 (0.49) CYP1A2CYP1A1CYP1B1ALDH1A1SMN1; SMN2
SCHEMBL19271366 0.92 CYP1A1 (0.49) CYP1A2CYP1A1CYP1B1ALDH1A1SMN1; SMN2
SCHEMBL15977885 0.92 CYP1A1 (0.49) CYP1A2CYP1A1CYP1B1ALDH1A1SMN1; SMN2
SCHEMBL15977593 0.92 CYP1A1 (0.49) CYP1A2CYP1A1CYP1B1ALDH1A1SMN1; SMN2

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