SCHEMBL18306239

SCHEMBL18306239

O=C(CNCCNCC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.62
MEN1 O00255 3/20 0.62
CYP3A4 P08684 3/20 0.62
KMT2A Q03164 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
MAPK1 P28482 2/20 0.62
KDM4E B2RXH2 2/20 0.62
MAPT P10636 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
ALOX15 P16050 1/20 0.62
CES1 P23141 1/20 0.62
ALDH1A1 P00352 6/20 0.58
GSK3B P49841 2/20 0.58
HIF1A Q16665 2/20 0.58
TRPA1 O75762 1/20 0.58
PTPN1 P18031 2/20 0.54
ERCC5 P28715 1/20 0.54
FEN1 P39748 1/20 0.54
RAB9A P51151 3/20 0.52
CYP1A2 P05177 2/20 0.52

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
SCHEMBL13365304 0.98 HPGD (0.60) HPGDMEN1CYP3A4KMT2ASMN1; SMN2
SCHEMBL5932634 0.91 HPGD (0.68) HPGDMEN1CYP3A4KMT2ASMN1; SMN2
SCHEMBL13290372 0.90 KMT2A (0.52) HPGDMEN1CYP3A4KMT2ASMN1; SMN2
SCHEMBL17414793 0.90 HPGD (0.56) HPGDMEN1CYP3A4KMT2ASMN1; SMN2
SCHEMBL22221979 0.90 MAPT (0.56) HPGDMEN1CYP3A4KMT2ASMN1; SMN2
SCHEMBL5023251 0.89 HPGD (0.50) HPGDMEN1CYP3A4KMT2ASMN1; SMN2
Bromide SCHEMBL10777716 0.88 HPGD (0.65) HPGDMEN1CYP3A4KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL9432569 0.88 HPGD (0.65) HPGDMEN1CYP3A4KMT2ASMN1; SMN2
SCHEMBL11913604 0.88 MAPT (0.54) HPGDMEN1CYP3A4KMT2ASMN1; SMN2
SCHEMBL11137757 0.88 HPGD (0.54) HPGDMEN1CYP3A4KMT2ASMN1; SMN2

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-9518207-B2 Methods to prevent formation damage from friction reducers HALLIBURTON ENERGY SERVICES, INC. (US) 2016-12-13 US disclosed
US-9518207-B2 Methods to prevent formation damage from friction reducers HALLIBURTON ENERGY SERVICES, INC. (US) 2016-12-13 US disclosed