SCHEMBL9726422

SCHEMBL9726422

Cc1c(Cl)cnn(C(C)C)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 2/20 0.40
KAT2B Q92831 2/20 0.38
ALDH1A1 P00352 4/20 0.36
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PDE1C Q14123 2/20 0.35
RAB9A P51151 3/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
NPC1 O15118 2/20 0.34
PAX8 Q06710 2/20 0.34
BRD4 O60885 2/20 0.33
BRD2 P25440 2/20 0.33
BRD3 Q15059 2/20 0.33
CREBBP Q92793 2/20 0.33

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
SCHEMBL9234085 0.82 BPTF (0.48) BPTFKAT2BALDH1A1HTTSMN1; SMN2
SCHEMBL29451464 0.81 ALDH1A1 (0.46) ALDH1A1HTTSMN1; SMN2RAB9ALMNA
SCHEMBL12411024 0.80 BPTF (0.36) BPTFKAT2BALDH1A1SMN1; SMN2PDE1C
SCHEMBL29451818 0.76 MAPT (0.44) ALDH1A1HTTSMN1; SMN2RAB9AMAPT
SCHEMBL4360057 0.75 CYP1A2 (0.35) BPTFKAT2BPDE1CPDE9A
SCHEMBL8544499 0.74 BRD9 (0.48) BPTFKAT2BALDH1A1HTTSMN1; SMN2
SCHEMBL22041006 0.73 CYP1A2 (0.39) BPTFKAT2BALDH1A1PDE1CPDE1A
SCHEMBL4347184 0.73 DRD4 (0.35) BPTFKAT2BPDE1CPDE9A
SCHEMBL9726491 0.72 BPTF (0.49) BPTFKAT2BALDH1A1SMN1; SMN2PDE1C
SCHEMBL10366081 0.72 BPTF (0.46) BPTFKAT2BALDH1A1HTTSMN1; 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 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