SCHEMBL1728915

SCHEMBL1728915

O=C(O)NC1CCN(c2ncccc2Br)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MALT1 Q9UDY8 4/20 0.47
TRPV1 Q8NER1 3/20 0.47
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL5220685 0.84 MALT1 (0.64) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL4879872 0.82 KDM4E (0.60) KMT2ACYP2C19MALT1ALDH1A1KDM4E
SCHEMBL1727561 0.82 KMT2A (0.48) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL1728655 0.81 MALT1 (0.45) KMT2AMALT1TRPV1ALDH1A1KDM4E
SCHEMBL3216080 0.81 TRPV1 (0.69) TRPV1
SCHEMBL5220690 0.81 KDM4E (0.66) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL17844913 0.81 KMT2A (0.47) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL4876457 0.80 MALT1 (0.60) KMT2AMEN1MALT1KDM4ERECQL
SCHEMBL3265621 0.80 MALT1 (0.43) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL3281568 0.80 ALDH1A1 (0.66) CYP1A2CYP2C9CYP2C19ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed