SCHEMBL6161956

SCHEMBL6161956

C=CCn1ncc([N+](=O)[O-])c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
GFER P55789 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
APOBEC3G Q9HC16 3/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
PKM P14618 1/20 0.35
MCL1 Q07820 2/20 0.35
APOBEC3A P31941 1/20 0.35
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 2/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL16975526 0.85 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2POLBL3MBTL1MAPT
SCHEMBL16975468 0.81 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2POLBL3MBTL1MEN1
SCHEMBL9228469 0.81 ALDH1A1 (0.36) ALDH1A1GFERSMN1; SMN2POLBL3MBTL1
SCHEMBL31716719 0.79 GLS (0.38) ALDH1A1GFERSMN1; SMN2L3MBTL1APOBEC3G
SCHEMBL22119164 0.77 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2POLBL3MBTL1MEN1
SCHEMBL15171010 0.77 POLB (0.47) ALDH1A1SMN1; SMN2POLBL3MBTL1MEN1
SCHEMBL27936843 0.76 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2POLBL3MBTL1MEN1
SCHEMBL22119352 0.76 SMN1; SMN2 (0.41) ALDH1A1GFERSMN1; SMN2POLBMAPT
SCHEMBL22118830 0.76 SMN1; SMN2 (0.41) ALDH1A1GFERSMN1; SMN2POLBMEN1
SCHEMBL6154432 0.75 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2POLBL3MBTL1MEN1

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-1580189-A1 4-AMINO-5-METHYLPYRAZOLE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF Sankyo Agro Company, Limited (JP) 2005-09-28 EP disclosed