SCHEMBL6868876

SCHEMBL6868876

N=C(Nc1ccc(CC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1)c1cccs1.N=C(Nc1ccc(Nc2ccccc2)cc1)c1cccs1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.65
KDM4E B2RXH2 5/20 0.65
MEN1 O00255 5/20 0.65
MAPT P10636 6/20 0.58
POLB P06746 1/20 0.58
ALDH1A1 P00352 3/20 0.54
TP53 P04637 2/20 0.54
EPHX2 P34913 1/20 0.52
PKM P14618 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CASP3 P42574 1/20 0.46
CASP2 P42575 1/20 0.46

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
SCHEMBL4625755 1.00 KMT2A (0.65) KMT2AKDM4EMEN1MAPTPOLB
Hydrochloric Acid SCHEMBL5408274 0.99 KMT2A (0.64) KMT2AKDM4EMEN1MAPTPOLB
SCHEMBL4627215 0.86 TRPV1 (0.52) KMT2AKDM4EMEN1MAPTPOLB
SCHEMBL4628336 0.85 NPC1 (0.51) KMT2AKDM4EMEN1MAPTPOLB
Hydrochloric Acid SCHEMBL5403706 0.85 TRPV1 (0.51) KMT2AKDM4EMEN1MAPTPOLB
SCHEMBL6968097 0.84 KDM4E (0.60) KMT2AKDM4EMEN1MAPTPOLB
Iodide SCHEMBL5418758 0.84 NPC1 (0.50) KMT2AKDM4EMEN1MAPTPOLB
Hydrochloric Acid SCHEMBL5400931 0.83 MEN1 (0.46) KMT2AKDM4EMEN1MAPTPOLB
SCHEMBL6969347 0.82 KDM4E (0.58) KMT2AKDM4EMEN1MAPTPOLB
SCHEMBL4625924 0.82 MEN1 (0.60) KMT2AKDM4EMEN1MAPTPOLB

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
US-6809090-B2 NITROGEN MONOXIDE SYNTHASE AND/OR LIPIDIC PEROXIDATION INHIBITORS IPSEN PHARMA S.A.S. (FR) 2004-10-26 US disclosed