SCHEMBL9538852

SCHEMBL9538852

NC(=O)NCc1ccc2c(c1)CCCN2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 3/20 0.55
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.51
MASP2 O00187 1/20 0.51
F2 P00734 1/20 0.51
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
PLAU P00749 1/20 0.45
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL22397642 0.87 PPID (0.56) PPIDKDM4EMAPTMASP2F2
SCHEMBL23520112 0.80 PPID (0.50) PPIDKDM4EMAPTMASP2F2
SCHEMBL20051408 0.79 MAPK14 (0.54) MAPTCYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL9596971 0.77 KDM4E (0.50) PPIDKDM4EMAPTMASP2F2
SCHEMBL5778832 0.77 KDM4E (0.60) PPIDKDM4EMAPTCA12CA1
SCHEMBL31285975 0.77 KDM4E (0.60) PPIDKDM4EMAPTCA12CA1
SCHEMBL4541628 0.76 CA12 (0.53) PPIDKDM4EMAPTMASP2F2
SCHEMBL1670746 0.76 MAPT (0.54) PPIDKDM4EMAPTMASP2F2
SCHEMBL12324832 0.75 MAPT (0.53) PPIDKDM4EMAPTCA12CA1
SCHEMBL11418216 0.75 PPARG (0.48) PPIDKDM4EMAPTMASP2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525111-A1 ANTIINFLAMMATORY HYDROXAMIC ACIDS AND N-HYDROXYUREAS. PFIZER (US) 1993-02-03 EP disclosed
WO-1991016298-A1 ANTIINFLAMMATORY HYDROXAMIC ACIDS AND N-HYDROXYUREAS PFIZER INC (US) 1991-10-31 WO disclosed