SCHEMBL9033839

SCHEMBL9033839

CCC(C)[C@H](NCC1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1C(=O)OC(C)(C)C)C(=O)NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
TACR1 P25103 5/20 0.39
ABCB1 P08183 1/20 0.38
CETP P11597 1/20 0.37
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
P2RX7 Q99572 1/20 0.36
PSMB5 P28074 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL9033847 0.95 TACR1 (0.40) KMT2ATACR1ABCB1CETPNPC1
SCHEMBL9033581 0.93 ABCB1 (0.42) KMT2AABCB1TSHR
SCHEMBL9035126 0.92 ABCB1 (0.40) KMT2ATACR1ABCB1
SCHEMBL9032739 0.88 ABCB1 (0.40) KMT2AABCB1
SCHEMBL9033588 0.87 ABCB1 (0.40) KMT2ATACR1ABCB1
SCHEMBL9035133 0.87 ABCB1 (0.39) KMT2ATACR1ABCB1
SCHEMBL9033882 0.87 ABCB1 (0.42) KMT2AABCB1
SCHEMBL9034508 0.86 ABCB1 (0.39) KMT2ATACR1ABCB1
SCHEMBL9034862 0.85 ABCB1 (0.37) KMT2AABCB1
SCHEMBL9034732 0.85 ABCB1 (0.41) KMT2ATACR1ABCB1TSHR

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