SCHEMBL22200565

SCHEMBL22200565

Cc1ccc(CSCl)c(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 6/20 0.36
▸ MAPT P10636 5/20 0.36
▸ TDP1 Q9NUW8 5/20 0.36
▸ HPGD P15428 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTR2A P28223 2/20 0.33
▸ MGAM O43451 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33
▸ PRKAG1 P54619 1/20 0.33
▸ PRKAA1 Q13131 1/20 0.33
▸ HDAC6 Q9UBN7 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
SCHEMBL3079738 0.77 KMT2A (0.43) L3MBTL1MAPTTDP1HPGDNPC1
SCHEMBL29386373 0.77 KMT2A (0.43) L3MBTL1MAPTTDP1HPGDNPC1
SCHEMBL10817318 0.76 AMY1A (0.42) L3MBTL1MAPTTDP1HPGDNPC1
SCHEMBL22200728 0.74 HPGD (0.37) L3MBTL1MAPTTDP1HPGDNPC1
SCHEMBL3772270 0.74 HTR2A (0.41) L3MBTL1MAPTTDP1HPGDNPC1
SCHEMBL4547157 0.74 MAPT (0.41) L3MBTL1MAPTTDP1HPGDNPC1
SCHEMBL30558293 0.74 HTR2A (0.41) L3MBTL1MAPTTDP1HPGDNPC1
SCHEMBL14327980 0.72 IDO1 (0.41) L3MBTL1MAPTTDP1HPGDNPC1
SCHEMBL21032335 0.72 CYP1A2 (0.41) L3MBTL1MAPTTDP1HPGDNPC1
SCHEMBL1588133 0.72 NPC1 (0.38) L3MBTL1MAPTTDP1HPGDNPC1

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-2020142612-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AS INHIBITORS OF ENDORIBONUCLEASE INOSITOL REQUIRING ENZYME I (IRE I ALPHA) FOR THE TREATMENT OF CANCER DISEASES. GENENTECH, INC. (US) 2020-07-09 — — WO disclosed
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