SCHEMBL9033870

SCHEMBL9033870

CCC(C)[C@H](NCC1CC(S)CN1)C(=O)NCCc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.42
HSD11B1 P28845 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL9033881 0.93 ALDH1A1 (0.43) HTTATMSMN1; SMN2ALDH1A1KMT2A
SCHEMBL9033512 0.86 POLB (0.46) HTTKMT2AMEN1CYP2C9CYP2C19
SCHEMBL9033473 0.81 ANPEP (0.47) SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL9033517 0.79 POLB (0.40) HTTKMT2AMEN1CYP2C9CYP2C19
SCHEMBL9033478 0.77 ANPEP (0.44) SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL9032637 0.77 MEN1 (0.46) SMN1; SMN2ALDH1A1KMT2AMEN1POLB
SCHEMBL9033533 0.77 HPGD (0.31) HTT
SCHEMBL9032679 0.75 L3MBTL1 (0.31) L3MBTL1
SCHEMBL9033796 0.73 KCNH2 (0.41) ALDH1A1
SCHEMBL9033537 0.72 L3MBTL1 (0.32) HTTL3MBTL1

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