SCHEMBL15977795

SCHEMBL15977795

Cc1ccc2c(-c3ccc4ccccc4c3)c3cc(-c4ccc(-c5ncccn5)nc4)ccc3c(-c3ccc4ccccc4c3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 2/20 0.38
PKM P14618 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KLF5 Q13887 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CTRC Q99895 1/20 0.38
CYP2A6 P11509 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL15977404 0.92 CYP11B1 (0.43) CYP11B1CYP11B2CYP17A1CYP19A1ALDH1A1
SCHEMBL15977748 0.91 CYP11B1 (0.37) CYP11B1CYP11B2CYP17A1CYP19A1ALDH1A1
SCHEMBL15977884 0.90 CYP11B1 (0.42) CYP11B1CYP11B2CYP17A1CYP19A1ALDH1A1
SCHEMBL15977483 0.85 CTRC (0.42) CYP11B1CYP11B2CYP17A1CYP19A1ALDH1A1
SCHEMBL15978589 0.83 ALOX5AP (0.41) CYP11B1CYP11B2CYP17A1CYP19A1ALDH1A1
SCHEMBL12322257 0.82 CYP11B1 (0.45) CYP11B1CYP11B2CYP17A1CYP19A1ALDH1A1
SCHEMBL15977653 0.82 CYP11B1 (0.41) CYP11B1CYP11B2CYP17A1CYP19A1ALDH1A1
SCHEMBL10301113 0.82 SMN1; SMN2 (0.41) CYP11B1CYP11B2CYP17A1CYP19A1ALDH1A1
SCHEMBL13658732 0.82 KDM4E (0.45) CYP11B1CYP11B2CYP17A1CYP19A1ALDH1A1
SCHEMBL19978490 0.81 CYP11B1 (0.44) CYP11B1CYP11B2CYP17A1CYP19A1ALDH1A1

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 2 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-20140239273-A1 ANTHRACENE DERIVATIVE, ORGANIC-ELECTROLUMINESCENCE-DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-08-28 US disclosed