SCHEMBL11204149

SCHEMBL11204149

C[C@H](N)C(=O)[N]c1cccc(N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.49
ALDH1A1 P00352 3/20 0.39
PBRM1 Q86U86 1/20 0.37
DDX3X O00571 1/20 0.37
CYP3A4 P08684 1/20 0.37
CASP1 P29466 1/20 0.37
RECQL P46063 1/20 0.37
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CPN1 P15169 1/20 0.35
CPB2 Q96IY4 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
SCHEMBL9750167 0.76 NOS1 (0.57) NOS1ALDH1A1PBRM1DDX3XCYP3A4
SCHEMBL10884508 0.71 NOS1 (0.47) NOS1ALDH1A1PBRM1DDX3XCYP3A4
SCHEMBL9041395 0.69 PBRM1 (0.53) ALDH1A1PBRM1DDX3XCYP3A4CASP1
SCHEMBL19526913 0.67 NOS1 (0.55) NOS1ALDH1A1PBRM1DDX3XCYP3A4
SCHEMBL79078 0.66
SCHEMBL8128359 0.66 CYP3A4 (0.58) NOS1ALDH1A1CYP3A4CASP1RECQL
SCHEMBL8652139 0.66 CYP3A4 (0.58) NOS1ALDH1A1CYP3A4CASP1RECQL
SCHEMBL30681183 0.66 NOS1 (0.53) NOS1ALDH1A1PBRM1DDX3XNPC1
SCHEMBL28418792 0.66 NOS1 (0.53) NOS1ALDH1A1PBRM1DDX3XNPC1
SCHEMBL17980515 0.66 CYP3A4 (0.48) ALDH1A1PBRM1DDX3XCYP3A4LMNA

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-0071926-A1 New ribofuranuronic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-02-16 EP disclosed