SCHEMBL9681833

SCHEMBL9681833

N#CC(NCc1cccnc1)c1ccoc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
CYP1A2 P05177 5/20 0.43
CYP3A4 P08684 4/20 0.43
HSD17B10 Q99714 4/20 0.43
MEN1 O00255 3/20 0.43
ALOX15 P16050 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2C19 P33261 3/20 0.43
USP2 O75604 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SGMS2 Q8NHU3 1/20 0.39
HPGD P15428 4/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39

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
SCHEMBL31338916 0.77 SGMS2 (0.48) CYP1A2CYP3A4CYP2D6CYP2C19SGMS2
SCHEMBL7678616 0.76 KMT2A (0.46) ALDH1A1CYP1A2CYP3A4MEN1KMT2A
SCHEMBL9681155 0.72 THRB (0.45) ALDH1A1CYP1A2CYP3A4MEN1KMT2A
SCHEMBL22311571 0.68 PKM (0.52) ALDH1A1CYP1A2CYP3A4KMT2ACYP2C19
SCHEMBL10702214 0.67 CYP1A2 (0.46) ALDH1A1CYP1A2MEN1KMT2ACYP2D6
SCHEMBL11104488 0.66 CYP1A2 (0.62) ALDH1A1CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL17198522 0.66 CYP1A2 (0.62) ALDH1A1CYP1A2KMT2ACYP2D6KDM4E
SCHEMBL13266485 0.66 SMN1; SMN2 (0.50) ALDH1A1CYP3A4HSD17B10MEN1ALOX15
SCHEMBL104748 0.66 CYP1A2 (0.62) ALDH1A1CYP1A2HSD17B10KMT2ACYP2D6
SCHEMBL8937823 0.66 SMN1; SMN2 (0.50) ALDH1A1CYP3A4HSD17B10MEN1ALOX15

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
US-5126362-A Substituted pyrazoylacetamides NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1992-06-30 US disclosed
EP-0361362-A1 Oxime derivative and fungicide for agricultural and horticultural use NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1990-04-04 EP disclosed