SCHEMBL4753906

SCHEMBL4753906

O=C(Cl)C(c1ccco1)c1ccco1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
POLB P06746 4/20 0.52
PTPN1 P18031 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
PKM P14618 1/20 0.52
PTPN7 P35236 1/20 0.52
BLM P54132 1/20 0.52
ESR2 Q92731 1/20 0.52
MEN1 O00255 3/20 0.47
AGTR1 P30556 1/20 0.47
ALDH1A1 P00352 6/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
ALOX5 P09917 1/20 0.43
CYP2C19 P33261 2/20 0.42
MIF P14174 1/20 0.41
HSD17B10 Q99714 2/20 0.40

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
SCHEMBL27495771 0.80 KMT2A (0.67) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL4753938 0.79 KMT2A (0.65) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL9402314 0.78 ALOX5 (0.49) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL11663358 0.77 KMT2A (0.57) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL7150460 0.72 CTSD (0.52) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL4751567 0.72 KMT2A (0.47) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL5665309 0.72 KMT2A (0.57) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL23851485 0.72 KMT2A (0.56) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL9318301 0.70 KMT2A (0.65) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL525255 0.70 KMT2A (0.72) KMT2APOLBPTPN1L3MBTL1PKM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008144602-A1 DEUTERATED ZAMIFENACIN DERIVATIVES AUSPEX PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed