SCHEMBL15046255

SCHEMBL15046255

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.44
RECQL P46063 2/20 0.44
POLB P06746 2/20 0.44
CYP3A4 P08684 1/20 0.44
PARP1 P09874 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
PMP22 Q01453 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
F12 P00748 1/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 2/20 0.37
PRSS1 P07477 1/20 0.37

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
SCHEMBL6662244 1.00 BLM (0.44) BLMRECQLPOLBCYP3A4PARP1
SCHEMBL26498886 0.81 PRSS1 (0.49) PRSS1PRSS2PRSS3
SCHEMBL26498663 0.81 PRSS1 (0.49) PRSS1PRSS2PRSS3
SCHEMBL20632312 0.79 PARP1 (0.52) POLBPARP1TDP1PKMKMT2A
SCHEMBL6259239 0.79 BLM (0.48) BLMRECQLPOLBCYP3A4PARP1
SCHEMBL10669214 0.79 BLM (0.48) BLMRECQLPOLBCYP3A4PARP1
SCHEMBL24623966 0.78 BLM (0.40) BLMRECQLPOLBCYP3A4PARP1
SCHEMBL15152900 0.77 ALDH1A1 (0.38) BLMRECQLPOLBCYP3A4PARP1
SCHEMBL9519520 0.77 ALDH1A1 (0.38) BLMRECQLPOLBCYP3A4PARP1
SCHEMBL9519534 0.77 ALDH1A1 (0.38) BLMRECQLPOLBCYP3A4PARP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471772-B1 MONOAMINE COMPOUND, CHARGE TRANSPORT MATERIAL, COMPOSITION FOR CHARGE TRANSPORT FILM, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY DEVICE, AND ORGANIC EL LIGHTING MITSUBISHI CHEM CORP (JP) 2019-04-17 EP disclosed
EP-3121165-B1 MONOAMINE COMPOUND, CHARGE TRANSPORT MATERIAL, COMPOSITION FOR CHARGE TRANSPORT FILM, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY DEVICE, AND ORGANIC EL LIGHTING MITSUBISHI CHEM CORP (JP) 2019-04-17 EP disclosed
WO-2013089460-A1 NOVEL CHEMICAL COMPOUND HAVING AN ACRIDINE STRUCTURE, AND ORGANIC LIGHT-EMITTING DIODE USING SAME 주식회사 두산 (KR) 2013-06-20 WO disclosed