SCHEMBL3553783

SCHEMBL3553783

Brc1cc(Br)cc(C2c3ccccc3-c3ccccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
GPR3 P46089 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
KDM1A O60341 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL19566260 0.96 HTR2A (0.40) HTR2AMEN1KMT2ANPC1GAA
SCHEMBL19303899 0.83 MEN1 (0.49) HTR2AMEN1KMT2ACYP1A2MAPK1
SCHEMBL27702463 0.82 KDM1A (0.36) MEN1KMT2ACYP1A2MAPK1GPR3
SCHEMBL7520996 0.80 KMT2A (0.61) HTR2AMEN1KMT2ANPC1GAA
SCHEMBL17693962 0.78 CYP1A2 (0.43) HTR2AMEN1KMT2ANPC1GAA
Benzene SCHEMBL28134446 0.78 MEN1 (0.59) HTR2AMEN1KMT2ANPC1GAA
SCHEMBL14550991 0.78 MAOA (0.45) HTR2AMEN1KMT2AHDAC3HDAC4
SCHEMBL6907603 0.78 CRHBP (0.44) HTR2AMEN1KMT2AGAAMAPK1
SCHEMBL16658512 0.78 KDM4E (0.40) HDAC4L3MBTL1
SCHEMBL21174548 0.76 MEN1 (0.43) HTR2AMEN1KMT2ANPC1GAA

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
CN-108290828-A Oxime ester compound having excellent thermal stability, photopolymerization initiator containing the same, and photosensitive resin composition 京仁洋行股份有限公司 2018-07-17 CN disclosed
EP-2260023-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES Merck Patent GmbH (DE) 2010-12-15 EP disclosed
WO-2009124627-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2009-10-15 WO disclosed