SCHEMBL7350848

SCHEMBL7350848

CNC(=O)COc1ccc(N)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 7/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
STAT3 P40763 1/20 0.48
ALDH1A1 P00352 3/20 0.48
OGG1 O15527 1/20 0.48
MEN1 O00255 5/20 0.47
POLB P06746 2/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL30876366 0.83 ALDH1A1 (0.53) SMN1; SMN2KMT2AHPGDALDH1A1MEN1
SCHEMBL19317367 0.83 ALDH1A1 (0.53) SMN1; SMN2KMT2AHPGDALDH1A1MEN1
SCHEMBL7344872 0.82 MCL1 (0.49) SMN1; SMN2KMT2AHPGDLMNAMAPK1
SCHEMBL6838793 0.82 MCL1 (0.66) SMN1; SMN2KMT2AHPGDLMNAALOX15
SCHEMBL7450174 0.82 BRAF (0.50) KMT2AALDH1A1MEN1
SCHEMBL16479304 0.80 OGG1 (0.56) SMN1; SMN2KMT2AHPGDLMNATSHR
SCHEMBL17967806 0.79 BCHE (0.48) SMN1; SMN2KMT2AHPGDALDH1A1MEN1
SCHEMBL6016227 0.79 ALDH1A1 (0.53) SMN1; SMN2KMT2ALMNATSHRALDH1A1
SCHEMBL778673 0.78 MEN1 (0.52) SMN1; SMN2KMT2ATSHRALDH1A1MEN1
SCHEMBL7343296 0.78 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AHPGDALDH1A1MEN1

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