SCHEMBL19906140

SCHEMBL19906140

CCOC(=O)Cc1c(C)cc2nc(Br)sc2c1-c1ccc(Cl)cc1OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.36
MAPT P10636 6/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
HTT P42858 3/20 0.36
HSD17B10 Q99714 3/20 0.36
TP53 P04637 2/20 0.36
ALOX15 P16050 2/20 0.36
GAA P10253 2/20 0.36
TDP1 Q9NUW8 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 2/20 0.34
PTPN1 P18031 1/20 0.34
RAB9A P51151 1/20 0.33
XBP1 P17861 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL15332942 0.83 KDM4E (0.48) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL19906141 0.80 PRF1 (0.37) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL19906382 0.73 KDM4E (0.39) KDM4ESMN1; SMN2LMNARAB9A
SCHEMBL19906268 0.72 EIF4E (0.38) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19905892 0.72 PTGDR2 (0.37) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL19906119 0.72 PTGDR2 (0.39) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL19906412 0.72 TP53 (0.38) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL19906323 0.72 SMN1; SMN2 (0.43) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19906169 0.71 KDM4E (0.35) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL19906086 0.71 KDM4E (0.39) KDM4EMAPTMEN1KMT2AALDH1A1

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
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed