SCHEMBL6662998

SCHEMBL6662998

CSc1ccc(-c2ccccc2)c(C(=O)Nc2ccc3c(c2)CCN3C(=O)Cc2cccc(N)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 3/20 0.42
RIPK1 Q13546 2/20 0.42
MAPT P10636 6/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
CREBBP Q92793 1/20 0.39
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
TP53 P04637 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
SCHEMBL6804404 0.92 EIF2AK3 (0.44) EIF2AK3RIPK1MAPTKMT2AKDM4E
SCHEMBL6665119 0.90 EIF2AK3 (0.44) EIF2AK3RIPK1MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6667512 0.89 EIF2AK3 (0.43) EIF2AK3RIPK1MAPTKDM4EALDH1A1
SCHEMBL6666486 0.89 EIF2AK3 (0.41) EIF2AK3RIPK1MAPTKMT2AMEN1
SCHEMBL6668674 0.88 EIF2AK3 (0.46) EIF2AK3MAPTKMT2AKDM4EMEN1
SCHEMBL6667232 0.88 RIPK1 (0.39) EIF2AK3RIPK1MAPTKMT2AKDM4E
SCHEMBL6667819 0.88 EIF2AK3 (0.41) EIF2AK3RIPK1MAPTHTR2CRAB9A
SCHEMBL6665118 0.86 RIPK1 (0.43) EIF2AK3RIPK1MAPTHTR2AHTR2C
Hydrochloric Acid SCHEMBL6666545 0.86 RIPK1 (0.43) EIF2AK3RIPK1MAPTHTR2AHTR2C
SCHEMBL6803357 0.84 EIF2AK3 (0.46) EIF2AK3RIPK1MAPTRAB9ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383760-A1 BIARYLCARBOXAMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-28 EP disclosed
WO-2002090347-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed