SCHEMBL6506758

SCHEMBL6506758

NC(=O)Nc1sc(C(=O)Nc2cccc(Cl)c2)cc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.50
ESR1 P03372 3/20 0.50
ESRRG P62508 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
FADS1 O60427 3/20 0.50
ESR2 Q92731 2/20 0.50
KDM4E B2RXH2 1/20 0.50
JAK2 O60674 1/20 0.50
JAK3 P52333 1/20 0.50
HSD17B10 Q99714 1/20 0.49
CHEK1 O14757 1/20 0.49
P2RX1 P51575 1/20 0.48
P2RX4 Q99571 1/20 0.48
P2RX7 Q99572 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL6514861 0.81 DYRK1A (0.52) IKBKBJAK2JAK3NPC1MAPT
SCHEMBL6509836 0.76 HSD17B1 (0.48) IKBKBMEN1KMT2AJAK2JAK3
SCHEMBL167193 0.76 MEN1 (0.71) MEN1KMT2AFADS1KDM4EHSD17B10
SCHEMBL6506340 0.75 FLT3 (0.51) IKBKBMEN1KMT2AKDM4EJAK2
Ammonia Solution, Strong SCHEMBL28790660 0.74 MEN1 (0.69) MEN1KMT2AFADS1KDM4EHSD17B10
SCHEMBL6507152 0.74 IKBKB (0.57) IKBKBMEN1KMT2AJAK2JAK3
SCHEMBL6514837 0.74 CHEK1 (0.47) IKBKBMEN1KMT2AKDM4EJAK2
SCHEMBL6511844 0.74 CYP2C19 (0.51) IKBKBMEN1KMT2AKDM4EJAK2
SCHEMBL6530703 0.72 IKBKB (0.51) IKBKBMEN1KMT2AJAK2JAK3
SCHEMBL6505865 0.72 IKBKB (0.58) IKBKBMEN1KMT2AJAK2JAK3

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
WO-2005105777-A1 SUBSTITUTED THIOPHENE AMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA & UPJOHN COMPANY LLC (US) 2005-11-10 WO disclosed