SCHEMBL7740979

SCHEMBL7740979

C=C(c1ccc(Cl)cc1)c1ccc(C(=O)NC(COCOC)CC(Cc2cccnc2)C(=O)NO)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR132 Q9UNW8 2/20 0.37
ROCK2 O75116 1/20 0.36
PRKACA P17612 1/20 0.36
RPS6KB1 P23443 1/20 0.36
IRAK1 P51617 1/20 0.36
PRKX P51817 1/20 0.36
LIMK1 P53667 1/20 0.36
PRKG2 Q13237 1/20 0.36
ROCK1 Q13464 1/20 0.36
PRKG1 Q13976 1/20 0.36
PKN2 Q16513 1/20 0.36
HIPK4 Q8NE63 1/20 0.36
AURKB Q96GD4 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
CSNK1G1 Q9HCP0 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 2/20 0.35

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
SCHEMBL7740988 0.92 KMT2A (0.39) KMT2AHTTSMN1; SMN2GPR132ROCK2
SCHEMBL7740981 0.92 KMT2A (0.39) KMT2AHTTSMN1; SMN2GPR132ROCK2
SCHEMBL7741053 0.90 CTSL (0.39) HTTGAANPC1RAB9AMMP9
SCHEMBL7741123 0.85 MMP9 (0.48) GPR132GAAECE1NPC1RAB9A
SCHEMBL7741125 0.85 MMP9 (0.48) GPR132GAAECE1NPC1RAB9A
SCHEMBL7742780 0.84 ACACB (0.42) KMT2ASMN1; SMN2GPR132LMNAPOLB
SCHEMBL7742779 0.84 ACACB (0.42) KMT2ASMN1; SMN2GPR132LMNAPOLB
SCHEMBL7735246 0.82 MMP2 (0.39) KMT2AHTTSMN1; SMN2MMP9MMP8
SCHEMBL7741058 0.81 NOS2 (0.44) HTTGAALMNAMMP9CTSL
SCHEMBL7741063 0.81 NOS2 (0.44) HTTGAALMNAMMP9CTSL

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