SCHEMBL458885

SCHEMBL458885

CCc1[c]c(-c2ccc(Cl)cc2)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
GFER P55789 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
IKBKB O14920 1/20 0.37
MAP3K14 Q99558 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
NR1H2 P55055 1/20 0.36
ALPL P05186 2/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.34
PTPN11 Q06124 1/20 0.34
NOTUM Q6P988 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
DCUN1D1 Q96GG9 1/20 0.34

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
SCHEMBL456840 0.77 IKBKB (0.43) LMNATDP1GFERAPOBEC3GIKBKB
SCHEMBL4637026 0.73 NR1H2 (0.40) NR1H2ALPLSMN1; SMN2RAB9ANPC1
SCHEMBL17055629 0.62 IKBKB (0.47) LMNATDP1GFERAPOBEC3GIKBKB
SCHEMBL20075139 0.61 IKBKB (0.50) LMNATDP1GFERAPOBEC3GIKBKB
SCHEMBL1143346 0.61 DRD2 (0.46) LMNATDP1GFERAPOBEC3GIKBKB
SCHEMBL3627117 0.61 L3MBTL1 (0.35) NR1H2ALPLSMN1; SMN2RAB9ANPC1
SCHEMBL2766578 0.61 MEN1 (0.40) LMNANR1H2ALPLSMN1; SMN2RAB9A
SCHEMBL509857 0.61 AHR (0.45) LMNATDP1SMN1; SMN2RAB9ANPC1
SCHEMBL676804 0.60 MAOB (0.52) LMNATDP1SMN1; SMN2NPC1POLB
SCHEMBL8990607 0.59 MAOB (0.57) LMNASMN1; SMN2NPC1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 WO disclosed