SCHEMBL9033715

SCHEMBL9033715

CCC(C)[C@H](NCC1CC(S)CN1)C(=O)NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
F2 P00734 3/20 0.41
P2RX7 Q99572 1/20 0.41
MEN1 O00255 3/20 0.39
MLYCD O95822 1/20 0.39
PSMB5 P28074 1/20 0.38
PLA2G1B P04054 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
PPARA Q07869 1/20 0.38
MASP2 O00187 1/20 0.37
APAF1 O14727 1/20 0.37
IDE P14735 1/20 0.37
PAX8 Q06710 1/20 0.37

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
SCHEMBL9033723 0.93 F2 (0.39) KMT2AF2P2RX7MEN1MLYCD
SCHEMBL9033796 0.89 KCNH2 (0.41) F2P2RX7PPARA
SCHEMBL9033473 0.86 ANPEP (0.47) KMT2AF2MEN1MASP2
SCHEMBL9033801 0.82 KCNH2 (0.39) P2RX7PPARA
SCHEMBL9033512 0.80 POLB (0.46) KMT2AMEN1CYP2D6CYP2C19
SCHEMBL9033478 0.78 ANPEP (0.44) KMT2AMEN1MASP2
SCHEMBL9033517 0.77 POLB (0.40) KMT2AMEN1CYP2D6CYP2C19
SCHEMBL9033533 0.74 HPGD (0.31)
SCHEMBL9032679 0.73 L3MBTL1 (0.31)
SCHEMBL3882782 0.73 MLYCD (0.56) KMT2AP2RX7MEN1MLYCDPLA2G1B

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