SCHEMBL9722711

SCHEMBL9722711

O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1CCNC1=O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.61
▸ CRHR2 Q13324 1/20 0.61
▸ ENPP2 Q13822 4/20 0.53
▸ MAPT P10636 5/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ RAB9A P51151 1/20 0.47
▸ HPGD P15428 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL9722683 0.89 ENPP2 (0.52) CRHBPCRHR2ENPP2MAPTALDH1A1
SCHEMBL9722707 0.76 CRHBP (1.00) CRHBPCRHR2MAPTALDH1A1LMNA
SCHEMBL27542697 0.75 PTGDR2 (0.64) ENPP2MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL9722709 0.75 MAPT (0.63) ENPP2MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL17538570 0.74 MAPT (0.65) ENPP2MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL5055683 0.73 KDM4E (0.70) ENPP2MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL7778630 0.72 MAPT (0.66) MAPTALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL29028695 0.71 MAPT (0.61) ENPP2MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL3535207 0.70 MAPT (0.60) MAPTALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL2923784 0.70 MAPT (0.59) ENPP2MAPTALDH1A1LMNASMN1; SMN2

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
US-5139564-A Applying postemergence PARK SANG W (KR) 1992-08-18 — — US disclosed
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