SCHEMBL7734685

SCHEMBL7734685

CCOCOCC(CC(Cc1cccnc1)C(=O)NO)NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MAPT P10636 7/20 0.40
CYP2D6 P10635 2/20 0.40
HTT P42858 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 4/20 0.39
NAMPT P43490 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
FPR1 P21462 2/20 0.37
FPR2 P25090 2/20 0.37
LMNA P02545 3/20 0.37

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
SCHEMBL7734694 1.00 SMN1; SMN2 (0.41) SMN1; SMN2NPC1TP53RAB9ACYP11B1
SCHEMBL7734865 0.90 NPC1 (0.53) SMN1; SMN2NPC1TP53RAB9AMAPT
SCHEMBL7734868 0.90 NPC1 (0.53) SMN1; SMN2NPC1TP53RAB9AMAPT
SCHEMBL7741296 0.89 KMT2A (0.41) RAB9ACYP11B1CYP11B2HTTGAA
SCHEMBL7741294 0.89 KMT2A (0.41) RAB9ACYP11B1CYP11B2HTTGAA
SCHEMBL7740451 0.89 MMP13 (0.43) SMN1; SMN2HTTGAAALDH1A1NAMPT
SCHEMBL7740453 0.89 MMP13 (0.43) SMN1; SMN2HTTGAAALDH1A1NAMPT
SCHEMBL7741077 0.88 GAA (0.48) SMN1; SMN2NPC1RAB9AHTTGAA
SCHEMBL7741080 0.88 GAA (0.48) SMN1; SMN2NPC1RAB9AHTTGAA
SCHEMBL7739385 0.85 ALDH1A1 (0.41) SMN1; SMN2NPC1TP53RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420427-B1 PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US claimed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP claimed
US-6420427-B1 PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP disclosed