SCHEMBL25145243

SCHEMBL25145243

COC(=O)c1nnc(-c2nc(C)ns2)s1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 10/20 0.36
FABP5 Q01469 10/20 0.36
ALDH1A1 P00352 6/20 0.36
CES1 P23141 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL21538912 0.81 ALDH1A1 (0.33) ALDH1A1CES1NPSR1
SCHEMBL21547851 0.77 ALDH1A1 (0.35) ALDH1A1CES1NPSR1KDM4EMAPT
SCHEMBL7982893 0.76 NPSR1 (0.43) ALDH1A1NPSR1KDM4EMAPTKMT2A
SCHEMBL21547866 0.73 KMT2A (0.39) FABP4FABP5ALDH1A1KMT2A
SCHEMBL21547807 0.71 ALDH1A1 (0.35) FABP4FABP5ALDH1A1CES1NPSR1
SCHEMBL21366406 0.71 CES1 (0.34) ALDH1A1CES1NPSR1KDM4EMAPT
SCHEMBL7453197 0.70 SMN1; SMN2 (0.43) ALDH1A1CES1NPSR1MAPTKMT2A
SCHEMBL21547840 0.70 PLK1 (0.38) ALDH1A1CES1KDM4EMAPTKMT2A
SCHEMBL25144923 0.70 NPSR1 (0.32) FABP4FABP5ALDH1A1NPSR1KDM4E
SCHEMBL21547830 0.70 PFKFB3 (0.43) ALDH1A1CES1KDM4EMAPTKMT2A

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
EP-3564239-B9 ARYL HYDROCARBON RECEPTOR MODULATOR ARIAGEN INC (US) 2023-04-19 EP disclosed