SCHEMBL31326436

SCHEMBL31326436

[2H]C([2H])([2H])Oc1nc(C(=O)OC)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
IAPP P10997 1/20 0.38
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 3/20 0.38
CFTR P13569 1/20 0.38
KDM4E B2RXH2 6/20 0.37
MAPT P10636 3/20 0.37
PKM P14618 2/20 0.37
GAA P10253 3/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
NQO2 P16083 1/20 0.36
NNMT P40261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.35
RECQL P46063 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
SCHEMBL31691038 1.00 MAPK1 (0.39) MAPK1IAPPALDH1A1HSD17B10CFTR
SCHEMBL4651223 0.90 MAPK1 (0.43) MAPK1IAPPALDH1A1HSD17B10CFTR
SCHEMBL31512136 0.90 MAPK1 (0.43) MAPK1IAPPALDH1A1HSD17B10CFTR
SCHEMBL31691447 0.83 IAPP (0.41) MAPK1IAPPKDM4EMAPTGAA
SCHEMBL4653578 0.79 IAPP (0.56) MAPK1IAPPALDH1A1HSD17B10KDM4E
SCHEMBL31326408 0.79 SCN9A (0.39) MAPK1
SCHEMBL4652261 0.79 IAPP (0.56) MAPK1IAPPALDH1A1HSD17B10KDM4E
SCHEMBL4652413 0.78 BCL2 (0.44) MAPK1IAPPALDH1A1HSD17B10CFTR
SCHEMBL31691414 0.78 IAPP (0.38) MAPK1IAPPMAPTGAASMN1; SMN2
SCHEMBL31528959 0.77 MAPK8 (0.36) IAPPALDH1A1KDM4EGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119350323-B N-sulfonyl amide nitrogen-containing fused heterocycle compounds targeting p53 mutation and application thereof 上海宇道生物技术有限公司 2025-06-13 CN disclosed
WO-2025077778-A1 CARBOXYLIC ACID COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海宇道生物技术有限公司 2025-04-17 WO disclosed
WO-2025077783-A1 DEUTERATED INDOLIZINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海宇道生物技术有限公司 2025-04-17 WO disclosed
CN-119350323-A N-sulfonyl amide nitrogen-containing fused heterocycle compounds targeting p53 mutation and application thereof 上海宇道生物技术有限公司 2025-01-24 CN disclosed
WO-2025011684-A2 N-SULFONAMIDE NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, AND APPLICATION THEREOF 上海宇道生物技术有限公司 2025-01-16 WO disclosed