SCHEMBL15977632

SCHEMBL15977632

c1ccc(-c2cccc(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 1/20 0.47
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
HSD17B1 P14061 3/20 0.42
HSD17B2 P37059 3/20 0.42
ESR1 P03372 6/20 0.41
ESR2 Q92731 6/20 0.41
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CTRC Q99895 1/20 0.39
CYP1A2 P05177 5/20 0.38
CYP2C19 P33261 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2B6 P20813 2/20 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
SCHEMBL10353365 0.99 MEN1 (0.46) MEN1KMT2ARAB9ACYP1A1CYP1B1
SCHEMBL15977499 0.96 CYP1A1 (0.48) MEN1KMT2ARAB9ACYP1A1CYP1B1
SCHEMBL10300910 0.95 CYP1A1 (0.50) MEN1KMT2ARAB9ACYP1A1CYP1B1
SCHEMBL15977637 0.95 CYP1A1 (0.43) MEN1KMT2ARAB9ACYP1A1CYP1B1
SCHEMBL10300943 0.93 CYP1A1 (0.50) MEN1KMT2ARAB9ACYP1A1CYP1B1
SCHEMBL19271366 0.91 CYP1A1 (0.49) MEN1KMT2ACYP1A1CYP1B1HSD17B1
SCHEMBL15977636 0.91 CYP1A1 (0.49) MEN1KMT2ACYP1A1CYP1B1HSD17B1
SCHEMBL15977593 0.91 CYP1A1 (0.49) MEN1KMT2ACYP1A1CYP1B1HSD17B1
SCHEMBL15977634 0.91 CYP1A1 (0.49) MEN1KMT2ACYP1A1CYP1B1HSD17B1
SCHEMBL19271362 0.91 CYP1A1 (0.49) MEN1KMT2ACYP1A1CYP1B1HSD17B1

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