SCHEMBL11158602

SCHEMBL11158602

NCCSCn1nc(-c2ccccc2)ccc1=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ HTT P42858 3/20 0.50
▸ KDM4E B2RXH2 5/20 0.48
▸ TSHR P16473 2/20 0.48
▸ POLB P06746 1/20 0.47
▸ HDAC1 Q13547 1/20 0.46
▸ HSD17B10 Q99714 3/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ ADRB2 P07550 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ CYP1A2 P05177 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
SCHEMBL3843267 0.80 MEN1 (0.60) MEN1KMT2AHTTKDM4ETSHR
SCHEMBL11096921 0.77 MEN1 (0.59) MEN1KMT2AHTTKDM4ETSHR
SCHEMBL11159363 0.77 PDE4A (0.60) MEN1KMT2AHTTKDM4ETSHR
SCHEMBL5579936 0.75 HTT (0.69) MEN1KMT2AHTTKDM4ETSHR
SCHEMBL26363706 0.75 HTT (0.64) MEN1KMT2AHTTKDM4ETSHR
SCHEMBL11161995 0.74 MEN1 (0.53) MEN1KMT2AHTTKDM4ETSHR
SCHEMBL3839136 0.74 KDM4E (0.60) MEN1KMT2AHTTKDM4ETSHR
SCHEMBL11403000 0.74 HTT (0.59) MEN1KMT2AHTTKDM4ETSHR
SCHEMBL4054492 0.73 HTT (0.62) MEN1KMT2AHTTKDM4ETSHR
SCHEMBL11175020 0.73 MEN1 (0.59) MEN1KMT2AHTTKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0030835-B1 DERIVATIVES OF 2-SUBSTITUTED-6-PHENYL-3(2H)PYRIDAZINONE, THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MORISHITA PHARMACEUTICAL CO. LTD. (JP) 1983-05-11 — — EP disclosed
EP-0030835-A1 Derivatives of 2-substituted-6-phenyl-3(2H)pyridazinone, their production and pharmaceutical compositions containing them MORISHITA PHARMACEUTICAL CO. LTD. (JP) 1981-06-24 — — EP disclosed
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