SCHEMBL30380720

SCHEMBL30380720

Cn1nnnc1NC(=O)c1cccc(C(N)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
MAP3K7 O43318 1/20 0.53
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAP3K5 Q99683 1/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPK14 Q16539 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C19 P33261 1/20 0.41
PARP1 P09874 2/20 0.41
EPHX2 P34913 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL18761926 0.83 POLB (0.65) POLBNPC1RAB9AKDM4ELMNA
SCHEMBL17080331 0.83 POLB (0.65) POLBNPC1RAB9AKDM4ELMNA
SCHEMBL30230846 0.77 POLB (0.49) POLBMAP3K7NPC1RAB9AMAP3K5
SCHEMBL29828077 0.77 RAB9A (0.57) POLBNPC1RAB9AKDM4ELMNA
SCHEMBL3377975 0.73 PARP1 (0.51) HIF1ANPSR1RXFP1SMN1; SMN2PARP1
SCHEMBL3895087 0.73 POLB (0.50) POLBNPC1RAB9AKDM4ELMNA
SCHEMBL20448259 0.73 POLB (0.67) POLBNPC1RAB9AKDM4ELMNA
SCHEMBL29606578 0.72 POLB (0.52) POLBNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL31121869 0.71 POLB (0.51) POLBNPC1RAB9AKDM4ELMNA
SCHEMBL15324772 0.71 ALDH1A1 (0.53) NPC1RAB9AKDM4ELMNATDP1

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-4132915-A1 SUBSTITUTED ISOPHTHALIC ACID DIAMIDES Bayer Aktiengesellschaft (DE) 2023-02-15 EP disclosed