SCHEMBL21048818

SCHEMBL21048818

CCS(=O)(=O)Nc1ncc(C)cc1CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.42
MMP2 P08253 6/20 0.42
MMP9 P14780 6/20 0.42
MMP8 P22894 6/20 0.42
MMP13 P45452 6/20 0.42
JMJD7 P0C870 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
MAOB P27338 1/20 0.37

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
SCHEMBL21048820 0.79 CYP19A1 (0.43) MMP1MMP2MMP9MMP8MMP13
SCHEMBL11542075 0.71 CRHBP (0.68) MMP1MMP2MMP9MMP8MMP13
SCHEMBL21048922 0.70 EPHX2 (0.36) LMNAALDH1A1MAPK1NPC1MAPT
SCHEMBL1802673 0.69 CRHBP (0.60) CRHBPCRHR2LMNAALDH1A1SMN1; SMN2
SCHEMBL629033 0.64 CRHBP (0.59) MMP1MMP2MMP9MMP8MMP13
SCHEMBL15524258 0.63 CRHBP (0.59) MMP1MMP2MMP9MMP8MMP13
SCHEMBL20380500 0.63 CRHBP (0.59) CRHBPCRHR2LMNAALDH1A1SMN1; SMN2
SCHEMBL28042132 0.63 CRHBP (0.55) CRHBPCRHR2LMNAALDH1A1SMN1; SMN2
SCHEMBL21048871 0.63 KDM4E (0.39) ALDH1A1NPC1MAPTRAB9A
SCHEMBL21794788 0.62 CRHBP (0.51) MMP1MMP2MMP9MMP8MMP13

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-3143021-B1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER (US) 2019-06-12 EP disclosed