SCHEMBL30968405

SCHEMBL30968405

Nc1c(C(=O)O)sc2ncc(F)cc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.52
USP28 Q96RU2 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 5/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
USP25 Q9UHP3 3/20 0.42
KDM4E B2RXH2 4/20 0.42
CHUK O15111 1/20 0.41
LIMK1 P53667 1/20 0.41
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
SLC14A1 Q13336 1/20 0.35
EEF2K O00418 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL20722607 1.00 IKBKB (0.52) IKBKBUSP28MEN1KMT2AMAPT
SCHEMBL20722662 0.82 MAPT (0.54) IKBKBMAPTNPC1RAB9AKDM4E
SCHEMBL30968554 0.82 MAPT (0.54) IKBKBMAPTNPC1RAB9AKDM4E
SCHEMBL22957512 0.81 IKBKB (0.52) IKBKBUSP28MEN1KMT2AMAPT
SCHEMBL22957304 0.81 IKBKB (0.78) IKBKBUSP28MEN1KMT2AMAPT
SCHEMBL22957259 0.81 USP28 (0.49) IKBKBUSP28MEN1KMT2AMAPT
SCHEMBL20731176 0.76 IKBKB (0.38) IKBKBUSP28MAPTUSP25
SCHEMBL23938084 0.73 IKBKB (0.43) IKBKBUSP28MAPTUSP25LIMK1
SCHEMBL20722623 0.73 MEN1 (0.50) IKBKBUSP28MEN1KMT2AUSP25
SCHEMBL3836628 0.71 LIMK1 (0.77) IKBKBMEN1KMT2AMAPTNPC1

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
CN-112867712-B Carboxamide as ubiquitin-specific protease inhibitor 瓦洛早期发现股份有限公司 2024-07-16 CN disclosed