SCHEMBL9033435

SCHEMBL9033435

CCC(C)[C@H](NCC1CCC(S)C1)C(=O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
PTGES O14684 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAOA P21397 1/20 0.39
CTSD P07339 1/20 0.36
GHSR Q92847 1/20 0.36
KCNA5 P22460 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
LMNA P02545 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
SCHEMBL9050939 0.82 GHSR (0.39) ATMMEN1KMT2AGHSRLMNA
SCHEMBL9033444 0.77 MAOA (0.41) ATMPTGESMEN1KMT2AMAOA
SCHEMBL9034245 0.75 L3MBTL1 (0.35) KMT2A
SCHEMBL9033473 0.65 ANPEP (0.47) MEN1KMT2A
SCHEMBL9033517 0.65 POLB (0.40) MEN1KMT2ACTSDCYP2D6CYP2C9
SCHEMBL9033512 0.65 POLB (0.46) MEN1KMT2ACYP2D6CYP2C9
SCHEMBL18216887 0.64 LMNA (0.56) PTGESMEN1KMT2ALMNA
SCHEMBL25233983 0.63 CTSL (0.43) PTGESMEN1KMT2ALMNA
SCHEMBL25233981 0.63 CTSL (0.43) PTGESMEN1KMT2ALMNA
SCHEMBL9034247 0.62 DPP4 (0.38) KMT2A

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