SCHEMBL7981939

SCHEMBL7981939

O=C1Cc2ccccc2N(C(=O)CBr)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
MAPT P10636 3/20 0.67
KDM4E B2RXH2 2/20 0.67
CYP3A4 P08684 2/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
PABPC1 P11940 1/20 0.67
BLM P54132 1/20 0.67
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NOTUM Q6P988 2/20 0.45
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
RAB9A P51151 1/20 0.45
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CES1 P23141 3/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL3216481 0.81 KDM4E (0.74) ALDH1A1MAPTKDM4ECYP3A4MEN1
Oxcarbazepine SCHEMBL29359799 0.80 KDM4E (1.00) ALDH1A1MAPTKDM4ECYP3A4MEN1
Oxcarbazepine SCHEMBL4655725 0.80 KDM4E (1.00) ALDH1A1MAPTKDM4ECYP3A4MEN1
Oxcarbazepine SCHEMBL29433241 0.80 KDM4E (1.00) ALDH1A1MAPTKDM4ECYP3A4MEN1
SCHEMBL8227395 0.80 KDM4E (0.72) ALDH1A1MAPTKDM4ECYP3A4MEN1
SCHEMBL8140930 0.80 ALDH1A1 (0.72) ALDH1A1MAPTKDM4ECYP3A4MEN1
Oxcarbazepine SCHEMBL35129 0.80 KDM4E (1.00) ALDH1A1MAPTKDM4ECYP3A4MEN1
SCHEMBL8254909 0.79 NPC1 (0.69) ALDH1A1MAPTKDM4ECYP3A4MEN1
Oxcarbazepine SCHEMBL17372732 0.79 KDM4E (0.97) ALDH1A1MAPTKDM4ECYP3A4MEN1
Oxcarbazepine SCHEMBL27944289 0.79 KDM4E (0.97) ALDH1A1MAPTKDM4ECYP3A4MEN1

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-6235730-B1 ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT JAPAN TOBACCO, INC. (JP) 2001-05-22 US disclosed
EP-0970954-A1 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME JAPAN TOBACCO INC. (JP) 2000-01-12 EP disclosed