SCHEMBL11482012

SCHEMBL11482012

O=C(CBr)c1ccc2cc(C(=O)CBr)ccc2c1

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.84
GSK3B P49841 11/20 0.58
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PLAU P00749 1/20 0.43

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
SCHEMBL15114347 0.96 PTPN1 (0.78) PTPN1GSK3BSMN1; SMN2HPGDKDM4E
SCHEMBL29411099 0.92 PTPN1 (1.00) PTPN1GSK3BSMN1; SMN2HPGDKDM4E
SCHEMBL220588 0.92 PTPN1 (1.00) PTPN1GSK3BSMN1; SMN2HPGDKDM4E
SCHEMBL203507 0.90 PTPN1 (0.70) PTPN1GSK3B
SCHEMBL10969669 0.88 PTPN1 (0.68) PTPN1GSK3BSMN1; SMN2HPGDKDM4E
SCHEMBL2758624 0.88 PTPN1 (0.68) PTPN1GSK3BSMN1; SMN2HPGDKDM4E
SCHEMBL1293480 0.88 PTPN1 (0.68) PTPN1GSK3BSMN1; SMN2HPGDKDM4E
SCHEMBL12520199 0.88 PTPN1 (0.68) PTPN1GSK3BSMN1; SMN2HPGDKDM4E
SCHEMBL31065275 0.85 GSK3B (0.71) PTPN1GSK3BSMN1; SMN2HPGDKDM4E
SCHEMBL10415427 0.85 PTPN1 (0.64) PTPN1GSK3BSMN1; SMN2HPGDKDM4E

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
US-4052542-A HALO-ACETYL HIGH GREEN STRENGTH RUBBERS POLYSAR LIMITED (CA) 1977-10-04 US claimed
US-4222906-A ADDING THE CATIONIC POLYMER DURING A SECOND STAGE OF MIXING POLYSAR LIMITED (CA) 1980-09-16 US disclosed