SCHEMBL7277209

SCHEMBL7277209

NC(=O)O[C@@H](CC1CCCCC1)C(=O)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
PKM P14618 1/20 0.47
USP30 Q70CQ3 1/20 0.41
GSK3B P49841 1/20 0.41
HPGD P15428 2/20 0.40
RECQL P46063 1/20 0.40
GAA P10253 2/20 0.39
CYP1A2 P05177 1/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
EPHX2 P34913 1/20 0.38
GRM5 P41594 1/20 0.38

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
SCHEMBL7293935 0.89 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL7759502 0.71 HPGD (0.57) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL14074319 0.71 GSK3B (0.50) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL14523607 0.71 GSK3B (0.50) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL9740119 0.71 USP30 (0.44) SMN1; SMN2MEN1KMT2ANPC1RAB9A
Cyclohexanol SCHEMBL28313927 0.70 PKM (0.55) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL28625425 0.70 KMT2A (0.53) SMN1; SMN2KMT2ANPC1RAB9APKM
SCHEMBL28625426 0.70 KMT2A (0.53) SMN1; SMN2KMT2ANPC1RAB9APKM
SCHEMBL28349261 0.69 KLK7 (0.54) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL28555151 0.69 CTSL (0.47) SMN1; SMN2RAB9AGAACYP1A2METAP2

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-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed