SCHEMBL25080997

SCHEMBL25080997

Nc1ncc(COc2ccc(-c3cn(C(=O)NCCCOc4ccccc4)cn3)cc2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
GLA P06280 1/20 0.38
RECQL P46063 1/20 0.37
KDM1A O60341 2/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
SMPD1 P17405 1/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
FYN P06241 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
FAAH O00519 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL25080995 0.86 L3MBTL1 (0.36) L3MBTL1RECQLHPGDMEN1KMT2A
SCHEMBL25080723 0.81 KDM1A (0.37) KDM1AMAOAMAOBSMPD1HPGD
SCHEMBL24809667 0.80 MTNR1A (0.50) L3MBTL1RECQLHPGDMEN1KMT2A
SCHEMBL25080746 0.79 CA12 (0.47) MEN1KMT2ASMN1; SMN2ADORA3ADORA2A
SCHEMBL25080994 0.78 CA12 (0.41) MEN1KMT2AADORA3ADORA2AADORA1
SCHEMBL25080979 0.78 GHSR (0.42) L3MBTL1RECQLMEN1KMT2ASMN1; SMN2
SCHEMBL25080941 0.77 ADAMTS4 (0.46) L3MBTL1KMT2ASMN1; SMN2FAAHNPC1
SCHEMBL25080738 0.77 L3MBTL1 (0.39) L3MBTL1RECQLMEN1KMT2ASMN1; SMN2
SCHEMBL25080774 0.77 L3MBTL1 (0.39) L3MBTL1RECQLMEN1KMT2ASMN1; SMN2
SCHEMBL24810552 0.74 CYP2E1 (0.46) RECQLHPGDSMN1; SMN2MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023023156-A1 ACID CERAMIDASE INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-02-23 WO disclosed