SCHEMBL14467124

SCHEMBL14467124

CCOc1ccc2c(c1)c(N)c(-c1ccc(NC(=O)O[C@H](C)C3CC3)cc1)n2C1CCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.36
TTK P33981 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL12949972 1.00 MEN1 (0.38) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL13152662 0.95 RAB9A (0.39) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL10097435 0.93 MEN1 (0.38) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL12489610 0.93 MEN1 (0.38) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL12487872 0.92 PDE7A (0.34) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL14467126 0.92 MEN1 (0.39) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL10097623 0.92 MEN1 (0.38) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL13214767 0.90 DYRK1A (0.38) SMN1; SMN2RAB9AALDH1A1HPGDNPC1
SCHEMBL13052762 0.90 HPGD (0.38) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL10097501 0.90 ALDH1A1 (0.47) MEN1KMT2ARAB9AALDH1A1HPGD

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
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed