SCHEMBL11261892

SCHEMBL11261892

COC(=O)C(C(C)=O)C(C(=O)c1ccc[nH]1)c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAOB P27338 1/20 0.40
CYP1B1 Q16678 1/20 0.40
ATM Q13315 1/20 0.38
KCNMA1 Q12791 1/20 0.38
KMT2A Q03164 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TACR3 P29371 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL11261799 0.82 SMN1; SMN2 (0.49) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL7056919 0.79 SMN1; SMN2 (0.44) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL11263287 0.77 KMT2A (0.48) ATMKMT2ANPC1RAB9AMEN1
SCHEMBL11265313 0.77 HPGD (0.42) KCNMA1KMT2ANPC1RAB9AMEN1
SCHEMBL11263124 0.73 KMT2A (0.38) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL17291147 0.71 KMT2A (0.53) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL15811721 0.69 KMT2A (0.61) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL1525273 0.68 KMT2A (0.49) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL1712790 0.68 KMT2A (0.49) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL16364505 0.68 PTGS1 (0.60) KMT2ANPC1RAB9AMEN1SMN1; SMN2

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