SCHEMBL15512979

SCHEMBL15512979

COc1ccc(NC(=S)Nc2cccc(Cn3ccnc3-c3ccncc3)c2)c(OC)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.41
KMT2A Q03164 5/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 10/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 6/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.37
HTT P42858 1/20 0.37
LIMK2 P53671 1/20 0.36
PKM P14618 1/20 0.36
BRD4 O60885 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL4331398 0.87 MAPT (0.56) GAAKMT2AKDM4EALDH1A1LMNA
SCHEMBL4323882 0.79 EPHB4 (0.56) GAAKMT2AKDM4EALDH1A1LMNA
SCHEMBL4326485 0.77 EPHB4 (0.56) GAAKMT2AKDM4EALDH1A1LMNA
SCHEMBL4325575 0.77 EPHB4 (0.56) GAAKMT2AKDM4EALDH1A1LMNA
SCHEMBL4332950 0.76 EPHB4 (0.56) GAAKMT2AKDM4EALDH1A1LMNA
SCHEMBL15512978 0.75 LIMK2 (0.34) GAAKDM4EALDH1A1LMNAMAPT
SCHEMBL4329653 0.74 EPHB4 (0.56) GAAKMT2AKDM4EALDH1A1MAPT
SCHEMBL4330165 0.74 MAPK14 (0.49) GAAKMT2AMAPTMEN1USP2
SCHEMBL4321685 0.74 EPHB4 (0.58) GAAKMT2AKDM4EALDH1A1LMNA
SCHEMBL4331400 0.73 EPHB4 (0.40) GAALMNAMAPTUSP2HTT

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-1858877-B1 1,3 SUBSTITUTED DIARYL UREAS AS MODULATORS OF KINASE ACTIVITY GILEAD CONNECTICUT INC (US) 2014-03-12 EP disclosed