SCHEMBL4036870

SCHEMBL4036870

Cc1noc(-c2ccc([N+](=O)[O-])cc2)c1N(C(=O)O)C(C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.41
LPAR1 Q92633 2/20 0.40
LPAR3 Q9UBY5 1/20 0.40
POLB P06746 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
RAB9A P51151 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
ALDH1A1 P00352 1/20 0.36
AR P10275 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 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
SCHEMBL4034366 0.89 AKR1C3 (0.43) MAPK1LMNAKMT2ALPAR1LPAR3
SCHEMBL15437794 0.87 LPAR1 (0.41) MAPK1LMNAKMT2ALPAR1LPAR3
SCHEMBL4034300 0.87 LPAR1 (0.41) MAPK1LMNAKMT2ALPAR1LPAR3
SCHEMBL4028121 0.87 LPAR1 (0.44) LMNAKMT2ALPAR1LPAR3POLB
SCHEMBL4033561 0.84 LPAR1 (0.42) KMT2ALPAR1LPAR3ALDH1A1SMN1; SMN2
SCHEMBL4031919 0.82 TRPA1 (0.50) LMNALPAR1LPAR3ALDH1A1
SCHEMBL4030691 0.79 LPAR1 (0.41) MAPK1LPAR1LPAR3MMP13
SCHEMBL4033953 0.79 LPAR1 (0.41) LPAR1LPAR3CNR2
SCHEMBL4027903 0.79 HTT (0.45) LMNALPAR1LPAR3RAB9AALDH1A1
SCHEMBL4034077 0.77 HDAC3 (0.41) KMT2ALPAR1LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1258484-B1 NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS KYOWA HAKKO KIRIN CO LTD (JP) 2009-01-14 EP claimed