SCHEMBL456840

SCHEMBL456840

Cc1[c]c(-c2ccc(Cl)cc2)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.43
MAP3K14 Q99558 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.40
GFER P55789 2/20 0.39
LMNA P02545 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NR1H2 P55055 2/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
ALPL P05186 1/20 0.38
POLB P06746 1/20 0.37
PTPN11 Q06124 1/20 0.37
NOTUM Q6P988 3/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
RPA1 P27694 1/20 0.36
METAP2 P50579 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NR1H3 Q13133 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
SCHEMBL455865 0.81 SMN1; SMN2 (0.46) IKBKBLMNANR1H2METAP2KDM4E
SCHEMBL455592 0.80 AKT2 (0.42) NR1H2ALPLPOLBDCUN1D1KDM4E
SCHEMBL458885 0.77 LMNA (0.40) IKBKBMAP3K14TRPM8GFERLMNA
SCHEMBL4637112 0.70 KMT2A (0.46) LMNANR1H2ALPLPOLBNOTUM
SCHEMBL3940018 0.65 NR1H4 (0.42) NOTUMKDM4E
SCHEMBL27492602 0.64 NOTUM (0.39) IKBKBMAP3K14TRPM8LMNAMKNK1
SCHEMBL3632831 0.63 BTK (0.46) LMNATDP1ALPLPOLBMETAP2
SCHEMBL24962586 0.63 IKBKB (0.68) IKBKBMAP3K14LMNATDP1MKNK1
SCHEMBL3070625 0.63 TRPM8 (0.62) IKBKBMAP3K14TRPM8TDP1MKNK1
SCHEMBL15121080 0.63 ALPL (0.61) IKBKBMAP3K14TRPM8NR1H2MKNK1

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