SCHEMBL31336013

SCHEMBL31336013

CNc1ccc2c(n1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.54
▸ NR1H2 P55055 2/20 0.53
▸ MAPT P10636 2/20 0.46
▸ PARP1 P09874 1/20 0.43
▸ TNKS2 Q9H2K2 1/20 0.43
▸ PARP2 Q9UGN5 1/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ IGF1R P08069 1/20 0.41
▸ GRAMD1A Q96CP6 1/20 0.41
▸ DDB1 Q16531 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MTOR P42345 2/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ SLC34A1 Q06495 1/20 0.39
▸ MAP3K5 Q99683 2/20 0.39
▸ HDAC1 Q13547 1/20 0.38

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
SCHEMBL4204490 0.91 ESR2 (0.49) ESR2NR1H2MAPTGRAMD1ADDB1
SCHEMBL10313013 0.84 ESR2 (0.57) ESR2NR1H2MAPTPARP1TNKS2
SCHEMBL21041656 0.84 ESR2 (0.61) ESR2NR1H2MAPTPARP1TNKS2
SCHEMBL30013710 0.84 ESR2 (0.61) ESR2NR1H2MAPTPARP1TNKS2
SCHEMBL16691229 0.82 NR1H2 (0.62) ESR2NR1H2MAPTPARP1TNKS2
SCHEMBL29712352 0.82 ESR2 (0.60) ESR2NR1H2MAPTPARP1TNKS2
SCHEMBL12540273 0.82 ESR2 (0.60) ESR2NR1H2MAPTPARP1TNKS2
SCHEMBL22981578 0.82 ESR2 (0.53) ESR2NR1H2MAPTPARP1TNKS2
SCHEMBL21326148 0.81 ESR2 (0.55) ESR2NR1H2MAPTPARP1TNKS2
SCHEMBL31484029 0.81 ESR2 (0.49) ESR2NR1H2MAPTGRAMD1ADDB1

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
Send feedback