SCHEMBL7347116

SCHEMBL7347116

COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3C2=O)C1c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.56
MAPT P10636 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HIF1A Q16665 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 3/20 0.50
CYP2D6 P10635 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
THPO P40225 1/20 0.50
TDP1 Q9NUW8 3/20 0.49
ADORA3 P0DMS8 3/20 0.48
ADRA2A P08913 3/20 0.48

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
SCHEMBL7348263 0.86 HSD17B10 (0.66) HSD17B10MAPTMEN1KMT2AHIF1A
SCHEMBL10918103 0.85 MAPT (0.70) MAPTMEN1KMT2AHIF1ACYP1A2
SCHEMBL10691974 0.85 HSD17B10 (0.54) HSD17B10MAPTMEN1KMT2AHIF1A
SCHEMBL7350843 0.85 MAPT (0.70) MAPTMEN1KMT2AHIF1ACYP1A2
SCHEMBL7350016 0.85 HSD17B10 (0.56) HSD17B10MAPTMEN1KMT2AHIF1A
SCHEMBL7349488 0.85 MAPT (0.52) MAPTMEN1KMT2AHIF1ACYP1A2
SCHEMBL7347242 0.84 ADORA3 (0.69) HSD17B10MAPTMEN1KMT2AHIF1A
SCHEMBL11829575 0.83 ADORA3 (0.69) HSD17B10MAPTMEN1KMT2AHIF1A
SCHEMBL7344814 0.82 HSD17B10 (0.57) HSD17B10MAPTMEN1KMT2AHIF1A
SCHEMBL9689854 0.82 HSD17B10 (0.50) HSD17B10MAPTMEN1KMT2AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4833150-A HYPOTENSIVES, ANTIARRHYTHMIA AGENTS NELSON RESEARCH & DEVELOPMENT CO. (US) 1989-05-23 US disclosed
US-4652573-A HYPOTENSIVE AGENTS NELSON RESEARCH & DEVELOPMENT CO. (US) 1987-03-24 US disclosed
EP-0194685-A1 1,4-Dihydropyridines Whitby Research Incorporated (US) 1986-09-17 EP disclosed