SCHEMBL7378141

SCHEMBL7378141

COC(=O)c1n[nH]c(C(=O)Oc2ccc(OC)cc2)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.45
KDM4E B2RXH2 3/20 0.45
PKM P14618 1/20 0.45
MAPT P10636 5/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
ALPL P05186 1/20 0.44
RAB9A P51151 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 3/20 0.43
ALDH1A1 P00352 3/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA1 P00915 1/20 0.42

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
SCHEMBL7377130 0.86 PRKAG1 (0.47) KDM4EMAPTLMNASMN1; SMN2NPC1
SCHEMBL6993979 0.82 KDM4C (0.65) KDM4CKDM4EPKMMAPTLMNA
SCHEMBL7373954 0.80 KMT2A (0.43) KDM4EMAPTLMNASMN1; SMN2NPC1
SCHEMBL6993983 0.76 KDM4C (0.56) KDM4CKDM4ELMNASMN1; SMN2CYP1A2
SCHEMBL8075999 0.74 SMN1; SMN2 (0.49) KDM4EMAPTLMNASMN1; SMN2NPC1
SCHEMBL1009945 0.70 KDM4C (0.52) KDM4CKDM4EPKMMAPTLMNA
SCHEMBL28954025 0.70 KDM4C (0.53) KDM4CKDM4EMAPTLMNASMN1; SMN2
SCHEMBL4794844 0.70 KDM4E (0.63) KDM4EMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5028345 0.70 LMNA (0.46) MAPTLMNASMN1; SMN2NPC1ALPL
SCHEMBL7441041 0.69 LMNA (0.57) KDM4CKDM4EPKMMAPTLMNA

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-1140941-A1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000039131-A1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-07-06 WO disclosed