SCHEMBL9727068

SCHEMBL9727068

C=CCc1c(Cl)cnn(CC=C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 8/20 0.41
SMN1; SMN2 Q16637 7/20 0.41
ALDH1A1 P00352 6/20 0.41
MITF O75030 5/20 0.41
LMNA P02545 4/20 0.41
POLB P06746 2/20 0.41
RECQL P46063 2/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 5/20 0.35
NPSR1 Q6W5P4 4/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
BLM P54132 1/20 0.35
GPR35 Q9HC97 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL9674402 0.81 HTT (0.55) HTTSMN1; SMN2ALDH1A1MITFLMNA
SCHEMBL10374162 0.75 NPC1 (0.40) HTTSMN1; SMN2ALDH1A1MITFLMNA
SCHEMBL629078 0.73 CYP3A4 (0.41) HTTSMN1; SMN2ALDH1A1MITFLMNA
SCHEMBL10374777 0.72 HTT (0.44) HTTSMN1; SMN2ALDH1A1MITFLMNA
SCHEMBL31725530 0.68 SMN1; SMN2 (0.41) HTTSMN1; SMN2ALDH1A1MITFLMNA
SCHEMBL18832306 0.67 IMPDH2 (0.37) POLB
SCHEMBL9726553 0.66 KMT2A (0.49) HTTSMN1; SMN2ALDH1A1MITFLMNA
SCHEMBL18832294 0.65 IMPDH2 (0.30)
SCHEMBL8916923 0.65 NPC1 (0.54) SMN1; SMN2ALDH1A1MITFLMNAPOLB
SCHEMBL23134856 0.64 KAT2B (0.36) HTTSMN1; SMN2ALDH1A1MITFLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5098900-A Reducing contractions in smooth muscles NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-03-24 US disclosed
EP-0186817-B1 3(2H)PYRIDAZINONE, PROCESS FOR ITS PREPARATION AND ANTI-ALLERGIC AGENT CONTAINING IT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-08-02 EP disclosed
EP-0186817-A1 3(2H)pyridazinone, process for its preparation and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-07-09 EP disclosed