SCHEMBL31336028

SCHEMBL31336028

CC=C(C(=O)NCCOC)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
THRB P10828 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 4/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
MITF O75030 1/20 0.38
MAPK1 P28482 1/20 0.38
MDM2 Q00987 1/20 0.38
STAT3 P40763 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL31335945 0.79 ALDH1A1 (0.35) TDP1MEN1KMT2AALDH1A1HPGD
SCHEMBL9809527 0.79 NPC1 (0.41) SMN1; SMN2NPC1RAB9AGAA
SCHEMBL15836230 0.74 TDP1 (0.41) TDP1SMN1; SMN2NPC1THRBRAB9A
SCHEMBL12888781 0.74 CHRNB2 (0.48) TDP1SMN1; SMN2NPC1THRBRAB9A
SCHEMBL7776613 0.74 FAAH (0.34) KMT2AALDH1A1GAA
SCHEMBL20925003 0.71 HPGD (0.39) TDP1MEN1KMT2ALMNAALDH1A1
SCHEMBL584488 0.71 TDP1 (0.47) TDP1SMN1; SMN2NPC1THRBRAB9A
SCHEMBL13589550 0.71 TDP1 (0.47) TDP1SMN1; SMN2NPC1THRBRAB9A
SCHEMBL16453820 0.70 KMT2A (0.62) TDP1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL10960820 0.70

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