SCHEMBL17451995

SCHEMBL17451995

S=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3ccc4ccccc4c3n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.40
▸ TOP1 P11387 1/20 0.39
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ RAB9A P51151 6/20 0.36
▸ NPC1 O15118 5/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ AR P10275 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ GMNN O75496 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ THPO P40225 1/20 0.35

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
SCHEMBL17452003 0.93 TOP1 (0.38) PARP1TOP1ESR1ESR2RAB9A
SCHEMBL17452010 0.90 TOP1 (0.46) PARP1TOP1RAB9ANPC1MEN1
SCHEMBL17403811 0.87 PARP1 (0.44) PARP1TOP1ESR1ESR2RAB9A
SCHEMBL11962387 0.86 PARP1 (0.42) PARP1TOP1RAB9ANPC1MEN1
SCHEMBL11962386 0.86 PARP1 (0.42) PARP1TOP1RAB9ANPC1MEN1
SCHEMBL2913697 0.83 PARP1 (0.53) PARP1RAB9ANPC1MEN1KMT2A
SCHEMBL29986362 0.83 PARP1 (0.53) PARP1RAB9ANPC1MEN1KMT2A
SCHEMBL17403810 0.82 LMNA (0.47) PARP1TOP1ESR1ESR2RAB9A
SCHEMBL30103579 0.81 PARP1 (0.51) PARP1RAB9ANPC1MEN1KMT2A
SCHEMBL29035749 0.81 PARP1 (0.51) PARP1RAB9ANPC1MEN1KMT2A

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-20160020405-A1 ORGANIC LIGHT EMITTING ELEMENT AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-21 — — US disclosed
US-20160020405-A1 ORGANIC LIGHT EMITTING ELEMENT AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-21 — — US disclosed
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