SCHEMBL3787919

SCHEMBL3787919

CC([AsH2])C(C(=O)O)c1ccco1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
POLB P06746 4/20 0.53
PTPN1 P18031 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
PKM P14618 2/20 0.53
PTPN7 P35236 1/20 0.53
BLM P54132 1/20 0.53
ESR2 Q92731 1/20 0.53
ALOX5 P09917 1/20 0.45
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
AGTR1 P30556 1/20 0.41
CYP2C19 P33261 3/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
MIF P14174 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL5511586 0.85 KMT2A (0.57) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL1667511 0.81 KMT2A (0.53) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL2480787 0.76 KMT2A (0.61) KMT2APOLBPTPN1L3MBTL1PKM
Hydrochloric Acid SCHEMBL9402317 0.75 KMT2A (0.59) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL15291349 0.73 KMT2A (0.62) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL5929575 0.72 KMT2A (0.60) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL5158147 0.72 KMT2A (0.60) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL9318301 0.71 KMT2A (0.65) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL4753938 0.71 KMT2A (0.65) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL27536602 0.70 KMT2A (0.52) 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-2010088729-A1 COMPOSITIONS AND USES THEREFOR UNIVERSITY OF TASMANIA THROUGH THE MENZIES RESEARCH INSTITUTE (AU) 2010-08-12 WO disclosed