SCHEMBL455471

SCHEMBL455471

CCCc1ccc(-c2ccccc2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 3/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
RARB P10826 1/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL28096697 0.89 HSD11B1 (0.45) SMN1; SMN2HPGDRAB9ALMNAHTT
Bromide SCHEMBL28400140 0.86 RARB (0.48) MAPTHTTRARB
SCHEMBL29068251 0.84 SMN1; SMN2 (0.42) MAPTSMN1; SMN2HPGDRAB9AKDM4E
SCHEMBL23403331 0.83 CYP1A2 (0.39) MAPTSMN1; SMN2HPGDRAB9AKDM4E
SCHEMBL28347037 0.82 RARB (0.48) MAPTHPGDHTTRARBGAA
SCHEMBL456713 0.81 ESR2 (0.50) MAPTSMN1; SMN2HPGDRAB9AKDM4E
SCHEMBL455218 0.81 DCLRE1A (0.42) MAPTSMN1; SMN2HPGDRAB9AKDM4E
SCHEMBL5595171 0.81 SMN1; SMN2 (0.40) MAPTSMN1; SMN2HPGDRAB9AKDM4E
SCHEMBL23399403 0.80 LMNA (0.37) MAPTSMN1; SMN2HPGDRAB9AKDM4E
SCHEMBL24540416 0.79 ALDH1A1 (0.63) MAPTSMN1; SMN2HPGDRAB9AKDM4E

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