SCHEMBL6320472

SCHEMBL6320472

Cc1ccc(CN[C@@H](CC(N)=O)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
PKM P14618 1/20 0.49
LMNA P02545 1/20 0.47
DCAF1 Q9Y4B6 1/20 0.46
CYP2C19 P33261 1/20 0.45
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PRSS1 P07477 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL4883244 0.88 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2APKMHPGD
SCHEMBL4883253 0.88 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2APKMHPGD
SCHEMBL4889231 0.88 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2APKMHPGD
SCHEMBL4848178 0.84 PKM (0.54) SMN1; SMN2MEN1KMT2APKMHPGD
SCHEMBL4857951 0.82 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2APKM
SCHEMBL4890080 0.82 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2APKM
SCHEMBL4849427 0.82 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2APKM
SCHEMBL4855845 0.79 PKM (0.48) SMN1; SMN2MEN1KMT2APKM
SCHEMBL8092732 0.79 SMN1; SMN2 (0.63) SMN1; SMN2MEN1KMT2APKMLMNA
SCHEMBL5272038 0.77 SMN1; SMN2 (0.61) SMN1; SMN2MEN1KMT2APKMKDM4E

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
US-6914160-B1 Oxytocin inhibitors PFIZER INC (US) 2005-07-05 US disclosed