SCHEMBL21409465

SCHEMBL21409465

O=C(CCl)Nc1ccc(O)c(NC(=O)CCl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
POLB P06746 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
XBP1 P17861 1/20 0.51
NOD2 Q9HC29 1/20 0.51
ALDH1A1 P00352 7/20 0.51
HTT P42858 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
PRMT1 Q99873 1/20 0.50
LMNA P02545 2/20 0.49
CASP3 P42574 1/20 0.48
GSTO1 P78417 5/20 0.47
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
RNF4 P78317 1/20 0.46

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
SCHEMBL14706934 0.85 ERCC1 (0.58) MITFNPC1RAB9APOLBNPSR1
SCHEMBL29914686 0.84 POLB (0.53) MITFNPC1RAB9APOLBNPSR1
SCHEMBL3755148 0.84 POLB (0.53) MITFNPC1RAB9APOLBNPSR1
SCHEMBL247350 0.82 POLB (0.75) POLBLMNAMAPK1KMT2AMEN1
SCHEMBL30612630 0.82 POLB (0.75) POLBLMNAMAPK1KMT2AMEN1
SCHEMBL7751082 0.82 GSTO1 (0.56) MITFNPC1RAB9ANPSR1XBP1
SCHEMBL22042930 0.81 POLB (0.50) MITFNPC1RAB9APOLBALDH1A1
SCHEMBL7269751 0.81 HTT (0.68) NPC1RAB9APOLBALDH1A1HTT
SCHEMBL16858580 0.81 POLB (0.50) MITFNPC1RAB9APOLBALDH1A1
SCHEMBL30612623 0.81 POLB (0.50) MITFNPC1RAB9APOLBALDH1A1

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-2019186429-A1 A PROCESS FOR THE PREPARATION OF BOSUTINIB SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2019-10-03 WO disclosed