SCHEMBL24508985

SCHEMBL24508985

CCOC(=O)c1sc(Br)nc1-c1cccc(F)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.64
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.54
DHODH Q02127 7/20 0.53
CDC7 O00311 4/20 0.50
DBF4 Q9UBU7 4/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
JAK2 O60674 1/20 0.49
JAK3 P52333 1/20 0.49
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL1340195 0.89 TRPM8 (0.65) TRPM8ALDH1A1HPGDHSD17B10DHODH
SCHEMBL24508984 0.87 ALDH1A1 (0.73) TRPM8ALDH1A1HPGDHSD17B10DHODH
SCHEMBL1920374 0.85 TRPM8 (0.64) TRPM8ALDH1A1HPGDHSD17B10DHODH
SCHEMBL1919084 0.84 ALDH1A1 (0.74) TRPM8ALDH1A1HPGDHSD17B10DHODH
SCHEMBL1919770 0.82 FNTA (0.55) TRPM8ALDH1A1HPGDHSD17B10DHODH
SCHEMBL2690701 0.81 CDC7 (0.48) TRPM8ALDH1A1HPGDHSD17B10DHODH
SCHEMBL14705596 0.80 PTGDR2 (0.48) TRPM8CDC7DBF4MEN1KMT2A
SCHEMBL16075311 0.79 ALDH1A1 (0.59) TRPM8ALDH1A1HPGDHSD17B10DHODH
SCHEMBL24508625 0.79 TRPM8 (0.59) TRPM8ALDH1A1HPGDHSD17B10DHODH
SCHEMBL15048962 0.78 TRPM8 (1.00) TRPM8CDC7DBF4MEN1KMT2A

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-4259620-A1 ALDEHYDE DEHYDROGENASE INHIBITORS AND THEIR THERAPEUTIC USE Cancer Research Technology Limited (GB) 2023-10-18 EP disclosed
WO-2022123039-A1 ALDEHYDE DEHYDROGENASE INHIBITORS AND THEIR THERAPEUTIC USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2022-06-16 WO disclosed
WO-2022123039-A1 ALDEHYDE DEHYDROGENASE INHIBITORS AND THEIR THERAPEUTIC USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2022-06-16 WO disclosed