SCHEMBL7740242

SCHEMBL7740242

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 3/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX12 P18054 1/20 0.36
LMNA P02545 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
MMP2 P08253 4/20 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
SCHEMBL7740239 1.00 RAB9A (0.40) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL6298026 0.91 MAPT (0.41) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL6298024 0.91 MAPT (0.41) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL6298324 0.89 USP21 (0.40) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL6298320 0.89 USP21 (0.40) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL7740508 0.89 USP21 (0.40) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL7740371 0.88 MAPT (0.38) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL7740375 0.88 MAPT (0.38) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL7740992 0.88 MMP2 (0.47) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL7740998 0.88 MMP2 (0.47) RAB9ANPC1TP53SMN1; SMN2MAPT

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