SCHEMBL12476809

SCHEMBL12476809

O=C(Nc1cccc(Cl)c1)N1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.97
KMT2A Q03164 3/20 0.97
NPSR1 Q6W5P4 2/20 0.97
ALDH1A1 P00352 2/20 0.97
RECQL P46063 1/20 0.97
MAPT P10636 3/20 0.69
POLB P06746 1/20 0.69
RAB9A P51151 6/20 0.68
NPC1 O15118 5/20 0.66
TSHR P16473 2/20 0.64
KDM4E B2RXH2 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
CASP3 P42574 1/20 0.63
SENP8 Q96LD8 1/20 0.63
SENP7 Q9BQF6 1/20 0.63
SENP6 Q9GZR1 1/20 0.63
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA9 Q16790 1/20 0.62

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
SCHEMBL11641875 0.98 NPSR1 (1.00) MEN1KMT2ANPSR1ALDH1A1RECQL
SCHEMBL28273734 0.92 MEN1 (0.88) MEN1KMT2ANPSR1ALDH1A1RECQL
SCHEMBL22217664 0.86 MEN1 (0.78) MEN1KMT2ANPSR1ALDH1A1RECQL
SCHEMBL1570715 0.86 ALDH1A1 (0.77) MEN1KMT2ANPSR1ALDH1A1RECQL
SCHEMBL4306285 0.86 KMT2A (0.77) MEN1KMT2ANPSR1ALDH1A1RECQL
SCHEMBL1575527 0.85 MEN1 (0.71) MEN1KMT2ANPSR1ALDH1A1RECQL
SCHEMBL1575069 0.85 MEN1 (0.71) MEN1KMT2ANPSR1ALDH1A1RECQL
SCHEMBL11197051 0.85 ALDH1A1 (0.76) MEN1KMT2ANPSR1ALDH1A1RECQL
SCHEMBL4396084 0.85 ALDH1A1 (0.76) MEN1KMT2ANPSR1ALDH1A1RECQL
SCHEMBL4308463 0.85 KMT2A (0.76) MEN1KMT2ANPSR1ALDH1A1RECQL

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
WO-2023229378-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF 주식회사 엘지화학 2023-11-30 WO disclosed
WO-2012090177-A2 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2012-07-05 WO disclosed