SCHEMBL9237010

SCHEMBL9237010

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.38
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 2/20 0.38
GALR3 O60755 1/20 0.38
NR2F2 P24468 1/20 0.38
GPR183 P32249 1/20 0.38
GPR35 Q9HC97 1/20 0.38
TSHR P16473 6/20 0.37
CYP3A4 P08684 4/20 0.37
CYP2C9 P11712 4/20 0.37
CYP2C19 P33261 3/20 0.37
CYP2D6 P10635 3/20 0.37
CYP1A2 P05177 3/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL12410744 0.80 TSHR (0.41) SMN1; SMN2NPC1RAB9AKMT2ALMNA
SCHEMBL9828853 0.79 PLA2G1B (0.38) SMN1; SMN2NPC1RAB9AKMT2ALMNA
SCHEMBL1627207 0.79 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AKMT2ALMNA
SCHEMBL3845405 0.77 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AKMT2ALMNA
SCHEMBL9235153 0.77 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AKMT2ALMNA
SCHEMBL8550018 0.77 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AKMT2ALMNA
SCHEMBL23399663 0.75 CYP17A1 (0.32) CYP1A2
SCHEMBL10372186 0.74 MEN1 (0.42) SMN1; SMN2NPC1RAB9AKMT2ALMNA
SCHEMBL8551357 0.72 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9AKMT2ALMNA
SCHEMBL17191914 0.72 SMN1; SMN2 (0.35) SMN1; SMN2NPC1RAB9AKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7344702-B2 Contrast agents for myocardial perfusion imaging BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-03-18 US disclosed
EP-0665223-A1 Antitumor agent, novel 3(2H)-pyridazinone derivatives and their preparation TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-08-02 EP disclosed
EP-0199281-B1 PYRIDAZINONE DERIVATIVES, PREPARATION THEREOF, AND INSECTICIDAL, ACARICIDAL, NEMATICIDAL, FUNGICIDAL COMPOSITIONS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1991-07-10 EP disclosed
EP-0183212-B1 PYRIDAZINONE DERIVATIVES, PREPARATION THEREOF, AND INSECTICIDAL, ACARICIDAL, NEMATICIDAL, FUNGICIDAL COMPOSITIONS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1990-06-20 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
US-4837217-A Pyridazinone derivatives, preparation thereof, and insecticidal, acaricidal, nematicidal, fungicidal compositions NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1989-06-06 US disclosed
CN-86102700-A The preparation method of pyridazinone derivative and desinsection thereof, kill mite, nematicide, fungicide composition 1986-12-17 CN disclosed
EP-0199281-A2 Pyridazinone derivatives, preparation thereof, and insecticidal, acaricidal, nematicidal, fungicidal compositions NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-10-29 EP disclosed
CN-85108650-A The preparation method of pyridazinone derivative, and insecticidal constituent kill acaricidal composition, and the nematicide composition kills (very) bacterium composition 1986-09-24 CN disclosed
EP-0183212-A2 Pyridazinone derivatives, preparation thereof, and insecticidal, acaricidal, nematicidal, fungicidal compositions NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-06-04 EP disclosed