SCHEMBL10494262

SCHEMBL10494262

C#CC#Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 5/20 0.41
ALDH1A1 P00352 7/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 2/20 0.40
PLAU P00749 1/20 0.40
GPR35 Q9HC97 1/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK1 P28482 1/20 0.37
CASP7 P55210 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTPN11 Q06124 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PTPRC P08575 1/20 0.36
S100A4 P26447 1/20 0.36

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
SCHEMBL12286918 0.84 HSD17B10 (0.52) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL562027 0.80 HSD17B10 (0.48) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL29595518 0.80 HSD17B10 (0.48) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL10724396 0.79 HSD17B10 (0.47) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL28411146 0.79 ALDH1A1 (0.47) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL13982720 0.77 ALDH1A1 (0.46) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL9759856 0.77 HSD17B10 (0.45) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL11444322 0.77 GPR35 (0.47) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL6851983 0.77 HSD17B10 (0.50) HSD17B10TDP1ALDH1A1KMT2AMEN1
SCHEMBL11210765 0.76 ALDH1A1 (0.46) HSD17B10TDP1ALDH1A1KMT2AMEN1

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
JP-1233263-A None JP disclosed
JP-H01233263-A PHENYLBUTADIYNE DERIVATIVE AGENCY OF IND SCIENCE & TECHNOL 1989-09-19 JP disclosed