SCHEMBL9034612

SCHEMBL9034612

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
REN P00797 16/20 0.38
CTSD P07339 1/20 0.37
CTSE P14091 1/20 0.37
ABCB1 P08183 1/20 0.35
RAB9A P51151 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
SCHEMBL9034604 0.94 SMN1; SMN2 (0.41) SMN1; SMN2MEN1ALDH1A1KMT2AREN
SCHEMBL9033888 0.90 ABCB1 (0.41) MEN1KMT2AABCB1
SCHEMBL9035172 0.87 ABCB1 (0.39) MEN1KMT2AABCB1
SCHEMBL9034510 0.86 ABCB1 (0.37) MEN1KMT2ARENABCB1
SCHEMBL9033588 0.86 ABCB1 (0.40) MEN1KMT2AABCB1
SCHEMBL9034419 0.85 ABCB1 (0.38) MEN1ALDH1A1KMT2AABCB1
SCHEMBL9033882 0.84 ABCB1 (0.42) MEN1KMT2AABCB1
SCHEMBL9032745 0.83 ABCB1 (0.39) MEN1KMT2AABCB1
SCHEMBL9034508 0.83 ABCB1 (0.39) MEN1KMT2ARENABCB1
SCHEMBL9034867 0.83 ABCB1 (0.35) 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