SCHEMBL7741234

SCHEMBL7741234

COc1cccc(CC(CC(CO)N(C)C(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NO)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
SLC2A1 P11166 2/20 0.45
NPC1 O15118 2/20 0.45
HSD17B2 P37059 2/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.40
LIMK2 P53671 1/20 0.40
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
POLB P06746 2/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
AHR P35869 1/20 0.39
FFAR1 O14842 1/20 0.39
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7741239 1.00 KMT2A (0.45) KMT2AMEN1SLC2A1NPC1HSD17B2
SCHEMBL7740143 0.88 HSD17B2 (0.46) KMT2AMEN1SLC2A1HSD17B2LIMK2
SCHEMBL7740139 0.88 HSD17B2 (0.46) KMT2AMEN1SLC2A1HSD17B2LIMK2
SCHEMBL7740803 0.88 HSD17B2 (0.45) KMT2AMEN1SLC2A1HSD17B2ALDH1A1
SCHEMBL7740799 0.88 HSD17B2 (0.45) KMT2AMEN1SLC2A1HSD17B2ALDH1A1
SCHEMBL7740613 0.87 CRHBP (0.50) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL7740614 0.87 CRHBP (0.50) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL7740459 0.82 MMP2 (0.46) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL7740456 0.82 MMP2 (0.46) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL6299582 0.79 CRHBP (0.49) KMT2AMEN1NPC1ALDH1A1MAPT

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