SCHEMBL9119101

SCHEMBL9119101

CCOC(=O)c1ccc(Br)c(OCCl)c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
MAPT P10636 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
USP2 O75604 2/20 0.40
ALOX15 P16050 2/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 2/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL7559624 0.89 MAPT (0.51) TSHRMAPTMEN1KMT2ANPSR1
SCHEMBL8309761 0.89 KMT2A (0.43) TSHRMAPTMEN1KMT2ANPSR1
SCHEMBL6425637 0.84 TSHR (0.44) TSHRMAPTMEN1KMT2ANPSR1
SCHEMBL8492599 0.83 MAPT (0.52) TSHRMAPTMEN1KMT2ANPSR1
SCHEMBL6425518 0.83 TSHR (0.42) TSHRMAPTMEN1KMT2ANPSR1
SCHEMBL8491964 0.83 KMT2A (0.44) TSHRMAPTMEN1KMT2ANPSR1
SCHEMBL6695927 0.83 MEN1 (0.46) TSHRMAPTMEN1KMT2ANPSR1
SCHEMBL9736115 0.82 TSHR (0.55) TSHRMAPTMEN1KMT2ANPSR1
SCHEMBL292394 0.82 TSHR (0.63) TSHRMAPTMEN1KMT2ANPSR1
SCHEMBL8308693 0.82 TSHR (0.41) TSHRMAPTMEN1KMT2ANPSR1

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-1995025105-A1 ISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD (GB) 1995-09-21 WO disclosed