SCHEMBL457755

SCHEMBL457755

Ic1cc(-c2ccccc2)ccc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
KDM1A O60341 2/20 0.39
KDM1B Q8NB78 1/20 0.39
GABRA1 P14867 4/20 0.38
GABRB2 P47870 4/20 0.38
MAOA P21397 1/20 0.38
PDK2 Q15119 1/20 0.37
PDK4 Q16654 1/20 0.37
ALOX5 P09917 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
AGXT P21549 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
SCHEMBL6882613 0.77 ALOX5 (0.55) NPC1RAB9AGABRA1GABRB2ALOX5
SCHEMBL458343 0.77 NOTUM (0.48) NPC1RAB9AKDM1AKDM1BGABRA1
SCHEMBL27537246 0.73 SLC6A9 (0.46) KDM1AKDM1B
SCHEMBL457300 0.73 KDM1A (0.49) KDM1AMAOAKDM4EMEN1MAPT
SCHEMBL30028865 0.72 HTR2C (0.39)
SCHEMBL3453584 0.72 HTR2C (0.39)
SCHEMBL10391765 0.72 ALDH1A1 (0.47) NPC1RAB9AMAOAALOX5KDM4E
SCHEMBL27948099 0.71 NPC1 (0.48) NPC1RAB9AKDM1AMAOA
SCHEMBL10091179 0.70 DGAT1 (0.37) NPC1RAB9AKDM1AKDM1BGABRA1
SCHEMBL11763790 0.70 PTGS2 (0.49) NPC1RAB9AKDM4EMEN1MAPT

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