SCHEMBL31336087

SCHEMBL31336087

COc1c(C(=O)O)cc(Br)c(N)c1C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.56
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
GPR35 Q9HC97 1/20 0.43
TPMT P51580 2/20 0.42
TSHR P16473 1/20 0.41
APOBEC3A P31941 1/20 0.41
HTT P42858 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 5/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL20380165 0.84 HSD17B10 (0.61) HSD17B10LCKFYNGPR35TPMT
SCHEMBL6474002 0.83 HSD17B10 (0.46) HSD17B10GPR35TPMTALDH1A1HPGD
SCHEMBL27820154 0.81 HSD17B10 (0.61) HSD17B10LCKFYNGPR35TPMT
SCHEMBL762108 0.80 KDM4E (0.50) HSD17B10LCKFYNTSHRALDH1A1
SCHEMBL6772316 0.80 HSD17B10 (0.44) HSD17B10TPMTHTTALDH1A1HPGD
SCHEMBL27887957 0.80 ALDH1A1 (0.44) HSD17B10LCKFYNGPR35TPMT
SCHEMBL28362779 0.80 HSD17B10 (0.51) HSD17B10LCKFYNGPR35TPMT
SCHEMBL6475603 0.78 TSHR (0.49) HSD17B10TPMTTSHRAPOBEC3GALDH1A1
SCHEMBL27711069 0.78 HSD17B10 (0.55) HSD17B10LCKFYNGPR35TPMT
SCHEMBL20380155 0.78 HSD17B10 (0.53) HSD17B10LCKFYNGPR35TPMT

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-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 EP disclosed
WO-2024246496-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2024-12-05 WO disclosed