SCHEMBL456712

SCHEMBL456712

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP19A1 P11511 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL458110 0.86 TP53 (0.31)
SCHEMBL455217 0.81 SHMT2 (0.32) HPGDSMN1; SMN2L3MBTL1KDM4ENPC1
SCHEMBL455470 0.81 HPGD (0.32) HPGDSMN1; SMN2L3MBTL1KDM4ENPC1
SCHEMBL457003 0.69 ALDH1A1 (0.33) ALDH1A1
SCHEMBL456779 0.69 TP53 (0.31)
SCHEMBL3982745 0.69 ALDH1A1 (0.47) L3MBTL1KDM4ENPC1ALDH1A1MAPT
SCHEMBL23260378 0.63 PTPN1 (0.33) KDM4ENPC1ALDH1A1RAB9A
SCHEMBL21625337 0.62 NPC1 (0.45) HPGDSMN1; SMN2L3MBTL1KDM4ENPC1
SCHEMBL455737 0.62 CYP1A2 (0.33) ALDH1A1
SCHEMBL4661765 0.61 CTSK (0.35) HPGDSMN1; SMN2L3MBTL1KDM4ENPC1

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