SCHEMBL27324327

SCHEMBL27324327

CC(C)(C)c1csc(CN2CCNCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2A Q9UIF9 1/20 0.44
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
STAT1 P42224 1/20 0.38
ALOX15 P16050 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CXCR4 P61073 6/20 0.36
ALDH1A1 P00352 1/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
ADRA2C P18825 1/20 0.34
CCR2 P41597 1/20 0.34
CXCL12 P48061 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
SCHEMBL25145880 0.85 BAZ2A (0.41) BAZ2AALOX15SIGMAR1MEN1KMT2A
SCHEMBL12786862 0.82 LMNA (0.57) BAZ2ALMNATP53TSHRSTAT1
SCHEMBL1088574 0.80 BAZ2A (0.49) BAZ2ALMNATSHRALOX15SIGMAR1
SCHEMBL31532426 0.78 CYP2D6 (0.38) BAZ2ALMNATP53TSHRSTAT1
SCHEMBL27870171 0.76 ALDH1A1 (0.45) BAZ2ALMNAALOX15SIGMAR1MEN1
SCHEMBL4914470 0.76 KMT2A (0.53) BAZ2AMEN1KMT2AALDH1A1CTSL
SCHEMBL4914482 0.76 BAZ2A (0.44) BAZ2ALMNAALOX15SIGMAR1MEN1
SCHEMBL2339833 0.74 CNR2 (0.58) BAZ2ALMNATSHRALDH1A1CTSL
Hydrochloric Acid SCHEMBL1929103 0.73 CNR2 (0.57) BAZ2ALMNATSHRALDH1A1CTSL
SCHEMBL346976 0.73 BAZ2A (0.45) BAZ2AMEN1KMT2ACTSLCTSB

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-2024088922-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) F. HOFFMANN-LA ROCHE AG (CH) 2024-05-02 WO disclosed