SCHEMBL27362958

SCHEMBL27362958

CCOC(=O)c1sc2nc(-c3ccc(NS(C)(=O)=O)cc3)cn2c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.56
RXFP1 Q9HBX9 3/20 0.56
RAB9A P51151 8/20 0.51
NPC1 O15118 6/20 0.51
HPGD P15428 5/20 0.51
TSHR P16473 4/20 0.51
TP53 P04637 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 3/20 0.51
KDM4E B2RXH2 2/20 0.51
USP2 O75604 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HSD17B10 Q99714 2/20 0.50
RECQL P46063 1/20 0.50
LMNA P02545 3/20 0.49
CYP1A2 P05177 2/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ESR1 P03372 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL27361298 0.86 RAB9A (0.57) MAPTRXFP1RAB9ANPC1HPGD
SCHEMBL1032957 0.84 MAPT (0.58) MAPTRXFP1RAB9ANPC1HPGD
SCHEMBL1031278 0.82 LMNA (0.66) MAPTRXFP1RAB9ANPC1HPGD
SCHEMBL27362955 0.82 MAPT (0.56) MAPTRXFP1RAB9ANPC1HPGD
SCHEMBL1035519 0.82 MAPT (0.69) MAPTRAB9ANPC1HPGDTSHR
SCHEMBL27362937 0.81 MAPT (0.59) MAPTRXFP1NPC1HPGDTP53
SCHEMBL27362971 0.80 HPGD (0.51) MAPTRXFP1NPC1HPGDTP53
SCHEMBL1035429 0.80 MAPT (0.65) MAPTRXFP1RAB9ANPC1HPGD
SCHEMBL1033727 0.74 TRPM8 (0.58) MAPTRAB9ANPC1HPGDTSHR
SCHEMBL10339173 0.74 ALDH1A1 (0.45) MAPTRAB9ANPC1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4532016-A2 ALDH2 INHIBITORS AND METHODS OF USE THEREOF University of Maryland, Baltimore (US) 2025-04-09 EP disclosed
WO-2023235753-A2 ALDH2 INHIBITORS AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-12-07 WO disclosed
WO-2023235753-A2 ALDH2 INHIBITORS AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-12-07 WO disclosed