SCHEMBL31336054

SCHEMBL31336054

c1cc2c(c(NCCN3CCOCC3)c1)CNC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 3/20 0.43
SMARCA2 P51531 2/20 0.43
MITF O75030 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ACP1 P24666 1/20 0.43
MALT1 Q9UDY8 1/20 0.41
KDM4E B2RXH2 4/20 0.41
HTT P42858 1/20 0.41
APAF1 O14727 1/20 0.41
NSD2 O96028 1/20 0.41
BCL3 P20749 1/20 0.41
USP2 O75604 1/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL21744257 0.89 PIK3CD (0.43) TSHRKMT2AMEN1LMNASMARCA2
SCHEMBL24913864 0.75 CYP2A13 (0.53) KMT2AMEN1LMNAHPGDKDM4E
SCHEMBL30101416 0.74 HRH3 (0.53) TSHRPOLBKDM4E
Hydrochloric Acid SCHEMBL30368364 0.73 CYP2A13 (0.51) KMT2AMEN1LMNAHPGDKDM4E
Hydrochloric Acid SCHEMBL29008593 0.73 CYP2A13 (0.51) KMT2AMEN1LMNAHPGDKDM4E
SCHEMBL2342146 0.73 ABHD6 (0.51) TSHRKMT2AMEN1LMNAHPGD
SCHEMBL383947 0.73 HRH3 (0.61) TSHRKDM4EHTTUSP2SIGMAR1
SCHEMBL11604511 0.72 KDM4E (0.67) TSHRKMT2AMEN1LMNASMARCA2
SCHEMBL13500541 0.72 KDM4E (0.55) TSHRKMT2AMEN1LMNASMARCA2
SCHEMBL6528435 0.72 KMT2A (0.51) TSHRKMT2AMEN1LMNASMARCA2

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