SCHEMBL7343296

SCHEMBL7343296

Cc1cc(OCC(=O)N(C)C)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 2/20 0.51
TP53 P04637 1/20 0.51
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PKM P14618 1/20 0.50
LOXL2 Q9Y4K0 2/20 0.47
MCL1 Q07820 1/20 0.45
PDK2 Q15119 1/20 0.45
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43
CBX7 O95931 1/20 0.43

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
SCHEMBL7344872 0.82 MCL1 (0.49) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6838793 0.82 MCL1 (0.66) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3315538 0.82 POLB (0.52) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12217574 0.81 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7447346 0.81 GAA (0.56) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL8323913 0.80 GAA (0.55) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30876366 0.79 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL19317367 0.79 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL17935310 0.79 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8320409 0.78 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5932582-A Fibrinogen receptor antagonist prodrugs MERCK & CO., INC. (US) 1999-08-03 US disclosed
EP-0912513-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS Merck & Co., Inc. (US) 1999-05-06 EP disclosed
WO-1998000401-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO., INC. (US) 1998-01-08 WO disclosed