SCHEMBL14899753

SCHEMBL14899753

CN1CCN(c2cnn(-c3cccc(Cl)c3)c(=O)c2OC2CCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 2/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.48
MCHR1 Q99705 4/20 0.46
NPBWR1 P48145 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
GAA P10253 2/20 0.44
RXFP1 Q9HBX9 1/20 0.43
MAPT P10636 5/20 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
SCHEMBL11945081 0.88 ALDH1A1 (0.57) SMN1; SMN2POLBLMNAKMT2AMCHR1
SCHEMBL11945565 0.88 TP53 (0.47) SMN1; SMN2POLBLMNATP53MCHR1
SCHEMBL11945215 0.88 MAPT (0.57) SMN1; SMN2POLBLMNAKMT2ATP53
SCHEMBL17057929 0.88 POLB (0.42) SMN1; SMN2POLBLMNATP53MCHR1
SCHEMBL11944020 0.88 ALDH1A1 (0.56) SMN1; SMN2POLBLMNAKMT2AMCHR1
SCHEMBL14899737 0.87 SMN1; SMN2 (0.46) SMN1; SMN2POLBLMNAKMT2ATP53
SCHEMBL11944494 0.87 POLB (0.52) SMN1; SMN2POLBLMNAKMT2AMCHR1
SCHEMBL11944729 0.86 ALDH1A1 (0.57) SMN1; SMN2POLBLMNAKMT2AMCHR1
SCHEMBL11945583 0.86 NPSR1 (0.52) SMN1; SMN2POLBLMNAKMT2ATP53
SCHEMBL11944098 0.86 POLB (0.52) SMN1; SMN2POLBLMNAKMT2AMCHR1

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-2586778-A2 Pyridazinone derivatives useful as glucan synthase inhibitors Merck Sharp & Dohme Corp. (US) 2013-05-01 EP disclosed