SCHEMBL30467413

SCHEMBL30467413

S=C(COCc1ccccc1)Nc1cccc(Br)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
TSHR P16473 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GRM5 P41594 1/20 0.34

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
SCHEMBL21685510 1.00 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL21685481 0.84 TDP1 (0.50) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL21685584 0.83 GRM5 (0.36) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL21684862 0.79 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL202342 0.69 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL21685458 0.68 ADORA3 (0.45) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL21685418 0.66 KDM4E (0.56) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL7743268 0.66 TSHR (0.61) ALDH1A1MAPTTSHRCA12CA1
SCHEMBL3301528 0.65 TSHR (0.45) ALDH1A1KMT2AMAPTHTTTSHR
SCHEMBL28597048 0.65 NPC1 (0.64) ALDH1A1MEN1KMT2AL3MBTL1HTT

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-4219460-B1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA INC (US) 2025-02-26 EP disclosed
EP-4219460-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 EP disclosed