SCHEMBL9236870

SCHEMBL9236870

CC(C)(C)c1ccc(COc2cnn(Cc3ccccc3)c(=O)c2Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 5/20 0.48
▸ NR2E3 Q9Y5X4 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.44
▸ HTT P42858 4/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPBWR1 P48145 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ GALR3 O60755 1/20 0.42
▸ NR2F2 P24468 1/20 0.42

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
SCHEMBL9237268 0.86 RAB9A (0.44) MAPK14ALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL9239763 0.85 RAB9A (0.43) MAPK14NR2E3ALDH1A1HTTSMN1; SMN2
SCHEMBL9236956 0.84 KMT2A (0.42) MAPK14ALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL9235020 0.82 ALDH1A1 (0.50) MAPK14ALDH1A1MAPTKMT2ANPSR1
SCHEMBL9232300 0.81 RAB9A (0.63) MAPK14ALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL9237515 0.81 PREP (0.43) KDM4EKMT2AMEN1RAB9ANPC1
SCHEMBL9232257 0.81 RAB9A (0.43) ALDH1A1HTTSMN1; SMN2MAPTKMT2A
SCHEMBL9238789 0.81 RAB9A (0.40) ALDH1A1HTTSMN1; SMN2NPBWR1MAPT
SCHEMBL9237988 0.80 KMT2A (0.68) NR2E3ALDH1A1HTTSMN1; SMN2NPBWR1
SCHEMBL9239759 0.79 RAB9A (0.44) MAPK14ALDH1A1KMT2AMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665223-A1 Antitumor agent, novel 3(2H)-pyridazinone derivatives and their preparation TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-08-02 — — EP disclosed
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