SCHEMBL455217

SCHEMBL455217

CCCC1=CC=C(c2ccccc2)C[C]1CC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.32
HPGD P15428 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL455470 0.83 HPGD (0.32) HPGDSMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL456712 0.81 HPGD (0.31) HPGDSMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL456779 0.74 TP53 (0.31) TP53
SCHEMBL458110 0.74 TP53 (0.31) TP53
SCHEMBL3982745 0.70 ALDH1A1 (0.47) L3MBTL1KDM4EALDH1A1NPC1MAPT
SCHEMBL18808378 0.64 TP53 (0.36) SHMT2HPGDSMN1; SMN2L3MBTL1KDM4E
SCHEMBL21625337 0.63 NPC1 (0.45) HPGDSMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL4661765 0.62 CTSK (0.35) HPGDSMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL24514949 0.61 ALDH1A1 (0.36) SMN1; SMN2L3MBTL1KDM4EALDH1A1NPC1
SCHEMBL14192246 0.61 CYP3A4 (0.64) HPGDSMN1; SMN2L3MBTL1KDM4EALDH1A1

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