SCHEMBL9726491

SCHEMBL9726491

CC(C)n1ncc(N)c(Cl)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 2/20 0.49
KAT2B Q92831 4/20 0.43
PDE1C Q14123 3/20 0.35
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
CREBBP Q92793 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
PDE9A O76083 3/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
NPBWR1 P48145 1/20 0.31
MCHR1 Q99705 1/20 0.31
DRD4 P21917 1/20 0.31

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 0.81 BPTF (0.48) BPTFKAT2BBRD4BRD2BRD3
SCHEMBL10366081 0.78 BPTF (0.46) BPTFKAT2BPDE1CBRD4BRD2
SCHEMBL9930351 0.76 BPTF (0.34) BPTFCYP1A2CYP2C19DRD4
SCHEMBL7010722 0.75 KAT2B (0.56) BPTFKAT2BBRD4BRD9GAA
SCHEMBL9726422 0.72 BPTF (0.40) BPTFKAT2BPDE1CBRD4BRD2
SCHEMBL144678 0.71 PIK3CD (0.30)
SCHEMBL11272569 0.70 SMN1; SMN2 (0.46) BPTFKAT2BPDE1CBRD9KMT2A
SCHEMBL5021281 0.70 CYP1A2 (0.33) CYP1A2DRD4
SCHEMBL10366093 0.69 BPTF (0.42) BPTFKAT2BPDE1CBRD4BRD2
SCHEMBL10367542 0.69 BPTF (0.42) BPTFKAT2BPDE1CGAAPDE1A

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