SCHEMBL24676730

SCHEMBL24676730

C=C1CC(c2nc(C)cs2)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
NOS1 P29475 1/20 0.38
OGA O60502 1/20 0.36
RAB9A P51151 3/20 0.32
TRPV1 Q8NER1 7/20 0.31
HSD11B1 P28845 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
GAA P10253 2/20 0.30
NPC1 O15118 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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
SCHEMBL6840373 0.79
Ammonia Solution, Strong SCHEMBL27924535 0.78 OGA (0.45) SMN1; SMN2NOS1OGARAB9ATRPV1
SCHEMBL12791651 0.76 OGA (0.44) SMN1; SMN2NOS1OGARAB9AHSD11B1
SCHEMBL24676000 0.74 OGA (0.40) SMN1; SMN2NOS1OGARAB9ATRPV1
SCHEMBL10217223 0.74 SSTR4 (0.39) SMN1; SMN2NOS1OGARAB9ATRPV1
SCHEMBL5291304 0.74 RAB9A (0.46) SMN1; SMN2NOS1OGARAB9AHSD11B1
SCHEMBL24677050 0.73 NOS1 (0.38) SMN1; SMN2NOS1OGARAB9ATRPV1
SCHEMBL20270748 0.73 PSEN1 (0.36) TRPV1
SCHEMBL3553310 0.72 OGA (0.44) SMN1; SMN2NOS1OGARAB9ATRPV1
SCHEMBL1042507 0.72 HPGDS (0.47) SMN1; SMN2NOS1OGARAB9ANPC1

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-2022155941-A1 CDK2 INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2022-07-28 WO disclosed