SCHEMBL11253160

SCHEMBL11253160

COC(=O)C1=C(C)NN=C(CCc2cccc(Cl)c2)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
CYP1A2 P05177 5/20 0.55
CYP3A4 P08684 5/20 0.55
CYP2C9 P11712 5/20 0.55
CYP2C19 P33261 5/20 0.55
HIF1A Q16665 4/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
LMNA P02545 4/20 0.55
CYP2D6 P10635 4/20 0.55
TSHR P16473 3/20 0.55
MAPK1 P28482 2/20 0.55
NFKB1 P19838 2/20 0.55
THPO P40225 2/20 0.55
POLB P06746 1/20 0.55
GPR55 Q9Y2T6 1/20 0.55
NR3C2 P08235 1/20 0.52
TDP1 Q9NUW8 3/20 0.51
PGR P06401 2/20 0.50
CHRM2 P08172 2/20 0.50

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
SCHEMBL11575292 0.87 CYP1A2 (0.44) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11740340 0.80 PDE1C (0.75) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11261753 0.78 HIF1A (0.44) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11379195 0.78 HIF1A (0.73) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11268103 0.77 CACNA1C (0.67) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11258636 0.76 CACNA1C (0.72) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11388272 0.76 HIF1A (0.73) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11260770 0.75 PDE1C (0.74) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6455299 0.75 HIF1A (0.87) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30648615 0.75 HIF1A (0.87) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

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-4360520-A 1,4-Dihydropyridazine compounds, and their medicinal use BAYER AKTIENGESELLSCHAFT (DE) 1982-11-23 US disclosed