SCHEMBL7948375

SCHEMBL7948375

CN(C)c1c(Cl)cccc1NC(=S)Nc1ccc(NC(=O)c2cc(F)ccc2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 7/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
KDM4E B2RXH2 2/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AVPR2 P30518 1/20 0.42
OXTR P30559 1/20 0.42
AVPR1A P37288 1/20 0.42
LMNA P02545 3/20 0.42
FADS1 O60427 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 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
SCHEMBL7948376 0.84 AVPR2 (0.39) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL6815255 0.84 CYP3A4 (0.53) MAPK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL6814740 0.76 ALDH1A1 (0.59) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6814352 0.76 ALDH1A1 (0.56) MAPK1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL6814357 0.75 KMT2A (0.50) MAPK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL6814607 0.75 MAPT (0.57) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7908164 0.75 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7654030 0.74 MEN1 (0.49) ALDH1A1MAPTMEN1KMT2AMAOB
SCHEMBL6819355 0.74 MAPK1 (0.66) MAPK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL6814864 0.74 KMT2A (0.58) MAPK1ALDH1A1MAPTMEN1KMT2A

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-6262082-B1 Diaminopyridine-containing thiourea inhibitors of herpes viruses WYETH 2001-07-17 US disclosed