SCHEMBL20030995

SCHEMBL20030995

CCOC(=O)Cc1c(C)cc2nc(-c3cnc4c(cnn4C)c3)sc2c1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.43
TDP1 Q9NUW8 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 8/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 6/20 0.41
HPGD P15428 5/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.39
FPR1 P21462 1/20 0.39
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
TRPM8 Q7Z2W7 2/20 0.36
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL20030991 0.82 MAPT (0.34) KDM4ETDP1MAPTMEN1KMT2A
SCHEMBL31114910 0.82 MAPT (0.34) KDM4ETDP1MAPTMEN1KMT2A
SCHEMBL20030864 0.81 KDM4E (0.42) KDM4ETDP1L3MBTL1MAPTMEN1
SCHEMBL20031011 0.80 KDM4E (0.38) KDM4ETDP1L3MBTL1MAPTMEN1
SCHEMBL20030973 0.79 KDM4E (0.43) KDM4ETDP1L3MBTL1MAPTMEN1
SCHEMBL19906180 0.79 PTGDR2 (0.41) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL20030734 0.79 KDM4E (0.36) KDM4ETDP1L3MBTL1MAPTMEN1
SCHEMBL20030870 0.78 KDM4E (0.36) KDM4ETDP1L3MBTL1MAPTMEN1
SCHEMBL15332942 0.78 KDM4E (0.48) KDM4ETDP1L3MBTL1MAPTMEN1
SCHEMBL19905978 0.78 PTGDR2 (0.40) 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
WO-2018064080-A1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING HIV INFECTION GILEAD SCIENCES, INC. (US) 2018-04-05 WO disclosed