SCHEMBL7477127

SCHEMBL7477127

N#Cc1cccc(OCC(=O)Nc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
LMNA P02545 3/20 0.64
GAA P10253 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.56
MLYCD O95822 1/20 0.54
MAPK1 P28482 1/20 0.53
KCNH2 Q12809 1/20 0.53
MAPT P10636 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
HTT P42858 1/20 0.52
HIF1A Q16665 1/20 0.52
EPAS1 Q99814 1/20 0.52

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
SCHEMBL320697 0.89 KMT2A (0.60) KMT2AMEN1LMNAGAASMN1; SMN2
SCHEMBL321631 0.88 HIF1A (0.65) KMT2AMEN1LMNAGAASMN1; SMN2
SCHEMBL7477445 0.81 F10 (0.71) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL321736 0.80 KMT2A (0.58) KMT2AMEN1GAAMAPTNPC1
SCHEMBL2953316 0.79 HIF1A (0.73) KMT2AMEN1GAASMN1; SMN2MAPT
SCHEMBL321291 0.79 ALDH1A1 (0.63) KMT2AMEN1LMNAGAASMN1; SMN2
SCHEMBL6809487 0.78 GAA (0.62) LMNAGAASMN1; SMN2MAPK1KCNH2
SCHEMBL6809507 0.78 SMN1; SMN2 (0.73) KMT2ALMNAGAASMN1; SMN2MAPK1
SCHEMBL18328476 0.78 GAA (0.61) KMT2AMEN1LMNAGAASMN1; SMN2
SCHEMBL3898629 0.78 CYP1A2 (0.59) KMT2AMEN1SMN1; SMN2MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183235-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2002-03-06 EP disclosed
WO-2000071510-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2000-11-30 WO disclosed