SCHEMBL9726468

SCHEMBL9726468

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.41
MAPK1 P28482 4/20 0.41
SMN1; SMN2 Q16637 10/20 0.41
HTT P42858 5/20 0.41
CYP2C19 P33261 4/20 0.41
CYP2D6 P10635 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP1A2 P05177 2/20 0.41
NPC1 O15118 4/20 0.41
KMT2A Q03164 4/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 3/20 0.41
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41
GPR183 P32249 1/20 0.41
GPR35 Q9HC97 1/20 0.41
ALDH1A1 P00352 6/20 0.39
MITF O75030 1/20 0.39
LMNA P02545 2/20 0.38

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
SCHEMBL9726425 0.87 TSHR (0.40) TSHRMAPK1SMN1; SMN2HTTCYP2C19
SCHEMBL3846274 0.85 SMN1; SMN2 (0.41) TSHRMAPK1SMN1; SMN2HTTCYP2C19
SCHEMBL3848503 0.85 TSHR (0.41) TSHRMAPK1SMN1; SMN2HTTCYP2C19
SCHEMBL10367640 0.84 TSHR (0.39) TSHRMAPK1SMN1; SMN2HTTCYP2C19
SCHEMBL10366709 0.83 TSHR (0.38) TSHRMAPK1SMN1; SMN2HTTCYP2C19
SCHEMBL8542130 0.82 MAPK1 (0.39) TSHRMAPK1SMN1; SMN2HTTCYP2C19
SCHEMBL10374162 0.81 NPC1 (0.40) TSHRMAPK1SMN1; SMN2HTTCYP2C19
SCHEMBL23188748 0.81 TSHR (0.41) TSHRMAPK1SMN1; SMN2HTTCYP2C19
SCHEMBL1627210 0.78 SMN1; SMN2 (0.50) TSHRMAPK1SMN1; SMN2HTTCYP2C19
SCHEMBL3848510 0.77 TSHR (0.37) TSHRMAPK1SMN1; SMN2HTTCYP2C19

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 8 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-0193853-B1 3(2H)PYRIDAZINONE, PROCESS FOR ITS PREPARATION AND ANTI-ALLERGIC AGENT CONTAINING IT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1990-09-12 EP disclosed
US-4874861-A Pyridazinone derivatives, preparation thereof, and insecticidal, acaricidal, nematicidal, fungicidal compositions NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1989-10-17 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
US-4783462-A 3(2H)pyridazinone, and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1988-11-08 US disclosed
EP-0193853-A2 3(2H)pyridazinone, process for its preparation and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-09-10 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
EP-0183212-A2 Pyridazinone derivatives, preparation thereof, and insecticidal, acaricidal, nematicidal, fungicidal compositions NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-06-04 EP disclosed