SCHEMBL9034604

SCHEMBL9034604

CCC(C)[C@H](NCC1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1C(=O)OC(C)(C)C)C(=O)NCCc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
REN P00797 13/20 0.37
CTSD P07339 1/20 0.37
CTSE P14091 1/20 0.37
ABCB1 P08183 1/20 0.37
HTT P42858 2/20 0.36
ATM Q13315 1/20 0.36
RAB9A P51151 1/20 0.36
PGA5 P0DJD9 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
SCHEMBL9034612 0.94 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MEN1KMT2AREN
SCHEMBL9033882 0.90 ABCB1 (0.42) MEN1KMT2AABCB1HTTATM
SCHEMBL9035167 0.87 CA2 (0.41) MEN1KMT2AABCB1HTT
SCHEMBL9034024 0.87 ABCB1 (0.39) KMT2AABCB1
SCHEMBL9034508 0.86 ABCB1 (0.39) MEN1KMT2ARENABCB1ATM
SCHEMBL9033581 0.85 ABCB1 (0.42) MEN1KMT2AABCB1ATM
SCHEMBL9034415 0.85 ABCB1 (0.41) SMN1; SMN2ALDH1A1KMT2AABCB1
SCHEMBL9034739 0.85 ABCB1 (0.41) MEN1KMT2AABCB1
SCHEMBL9034732 0.85 ABCB1 (0.41) MEN1KMT2AABCB1
SCHEMBL9034729 0.85 ABCB1 (0.41) MEN1KMT2AABCB1

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-0696593-A2 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1996-02-14 EP disclosed