SCHEMBL9726425

SCHEMBL9726425

CCCc1c(Cl)cnn(C(C)(C)C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.40
MAPK1 P28482 4/20 0.40
SMN1; SMN2 Q16637 11/20 0.40
HTT P42858 4/20 0.40
CYP2C19 P33261 4/20 0.40
CYP2D6 P10635 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP1A2 P05177 2/20 0.40
NPC1 O15118 5/20 0.39
RAB9A P51151 4/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
GALR3 O60755 1/20 0.39
NR2F2 P24468 1/20 0.39
GPR183 P32249 1/20 0.39
GPR35 Q9HC97 1/20 0.39
ALDH1A1 P00352 5/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 2/20 0.36

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
SCHEMBL10367640 0.91 TSHR (0.39) TSHRMAPK1SMN1; SMN2HTTCYP2C19
SCHEMBL10366709 0.89 TSHR (0.38) TSHRMAPK1SMN1; SMN2HTTCYP2C19
SCHEMBL9726468 0.87 TSHR (0.41) TSHRMAPK1SMN1; SMN2HTTCYP2C19
SCHEMBL3848503 0.82 TSHR (0.41) TSHRMAPK1SMN1; SMN2HTTCYP2C19
SCHEMBL3846274 0.82 SMN1; SMN2 (0.41) TSHRMAPK1SMN1; SMN2HTTCYP2C19
SCHEMBL8542130 0.79 MAPK1 (0.39) TSHRMAPK1SMN1; SMN2HTTCYP2C19
SCHEMBL10374162 0.78 NPC1 (0.40) TSHRMAPK1SMN1; SMN2HTTCYP2C19
SCHEMBL1627210 0.75 SMN1; SMN2 (0.50) TSHRMAPK1SMN1; SMN2HTTCYP2C19
SCHEMBL3848510 0.75 TSHR (0.37) TSHRMAPK1SMN1; SMN2HTTCYP2C19
SCHEMBL3845405 0.74 SMN1; SMN2 (0.43) 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 6 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
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