SCHEMBL7741294

SCHEMBL7741294

CCOCOCC(CC(Cc1cccnc1)C(=O)NO)NC(=O)c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
PKM P14618 1/20 0.39
GPR132 Q9UNW8 1/20 0.38
ECE1 P42892 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL7741296 1.00 KMT2A (0.41) KMT2AMEN1LMNAMAPK1PKM
SCHEMBL7740453 0.93 MMP13 (0.43) KMT2ALMNAMAPK1PKMGPR132
SCHEMBL7740451 0.93 MMP13 (0.43) KMT2ALMNAMAPK1PKMGPR132
SCHEMBL7741077 0.91 GAA (0.48) KMT2ALMNAMAPK1GPR132POLB
SCHEMBL7741080 0.91 GAA (0.48) KMT2ALMNAMAPK1GPR132POLB
SCHEMBL7734694 0.89 SMN1; SMN2 (0.41) KMT2AMEN1LMNAMAPK1CYP11B1
SCHEMBL7734685 0.89 SMN1; SMN2 (0.41) KMT2AMEN1LMNAMAPK1CYP11B1
SCHEMBL7740721 0.89 KMT2A (0.43) KMT2AMEN1LMNAMMP9MMP8
SCHEMBL7740718 0.89 KMT2A (0.43) KMT2AMEN1LMNAMMP9MMP8
SCHEMBL7739872 0.87 LMNA (0.43) LMNAGPR132ECE1CTSLCTSS

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