SCHEMBL7374182

SCHEMBL7374182

ClCCCN(Cc1ccccc1)CC1COc2ccccc2O1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 1/20 0.48
ALOX5 P09917 2/20 0.47
HTR1A P08908 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CA2 P00918 1/20 0.44
LTA4H P09960 2/20 0.43
POLB P06746 1/20 0.43
HTT P42858 2/20 0.42
ALOX12 P18054 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42

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
Hydrochloric Acid SCHEMBL7276981 0.99 NR1D1 (0.48) NR1D1ALOX5HTR1ASIGMAR1SMN1; SMN2
SCHEMBL7284699 0.88 ALOX5 (0.50) NR1D1ALOX5HTR1ASIGMAR1SMN1; SMN2
SCHEMBL7286538 0.85 ALOX5 (0.49) NR1D1ALOX5HTR1ASIGMAR1SMN1; SMN2
SCHEMBL9531443 0.84 ALOX5 (0.45) NR1D1ALOX5HTR1ASIGMAR1SMN1; SMN2
SCHEMBL2546741 0.81 ALOX5 (0.54) ALOX5HTR1ASIGMAR1SMN1; SMN2ALDH1A1
SCHEMBL2546737 0.81 ALOX5 (0.54) ALOX5HTR1ASIGMAR1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL2550091 0.80 ALOX5 (0.52) ALOX5HTR1ASMN1; SMN2ALDH1A1CA2
SCHEMBL7275192 0.77 ALOX5 (0.41) NR1D1ALOX5HTR1ASIGMAR1SMN1; SMN2
SCHEMBL4958489 0.76 LTA4H (0.48) LTA4H
Domoxin SCHEMBL2109165 0.76 ALOX5 (0.55) ALOX5HTR1ASIGMAR1SMN1; SMN2ALDH1A1

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
EP-0220735-A2 3(2H)-pyridazinone derivatives, a process and intermediates for preparing them and medicaments containing them and/or other 3(2H)-pyridazinone derivatives RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1987-05-06 EP disclosed