SCHEMBL12435375

SCHEMBL12435375

C=C(/C=C(\N=C(/N)Cl)c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.34
▸ KMT2A Q03164 3/20 0.32
▸ BLM P54132 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ RECQL P46063 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ F2 P00734 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ F12 P00748 1/20 0.32
▸ F7 P08709 1/20 0.32
▸ F3 P13726 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ PMP22 Q01453 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL15434187 0.79 MEN1 (0.35) KMT2APOLBMEN1MAPTHSD17B10
SCHEMBL12177014 0.77 ESR1 (0.35) ESR1KMT2ABLMPOLBCYP2C19
SCHEMBL12655605 0.75 NPC1 (0.35) KMT2ABLMPOLBMEN1F2
SCHEMBL12697741 0.74 KDM1A (0.31) KMT2AMEN1GAANPC1RAB9A
SCHEMBL12280824 0.72 MEN1 (0.31) KMT2AMEN1MAPTHSD17B10TDP1
SCHEMBL25107060 0.71 MEN1 (0.35) KMT2AMEN1MAPT
SCHEMBL12907944 0.71 BLM (0.41) KMT2ABLMPOLBCYP2C19RECQL
SCHEMBL12951243 0.70 ESR1 (0.35) ESR1KMT2ABLMPOLBCYP2C19
SCHEMBL23268276 0.70 KMT2A (0.39) ESR1KMT2ABLMPOLBCYP2C19
SCHEMBL12920098 0.69 BLM (0.39) ESR1KMT2ABLMPOLBCYP2C19

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
WO-2011099718-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-08-18 — — WO disclosed
WO-2011093609-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-08-04 — — WO disclosed
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