SCHEMBL19345895

SCHEMBL19345895

Cc1ccc2c(cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)n2C)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDE P14735 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ TDP1 Q9NUW8 3/20 0.54
▸ POLB P06746 3/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ APEX1 P27695 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ KMT2A Q03164 4/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ THRB P10828 1/20 0.52
▸ HPGD P15428 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ MAPT P10636 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ TP53 P04637 2/20 0.50
▸ PKM P14618 1/20 0.50

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
SCHEMBL19332443 0.90 TDP1 (0.56) ALDH1A1TDP1POLBL3MBTL1APEX1
SCHEMBL19332597 0.90 MAPT (0.54) ALDH1A1TDP1POLBL3MBTL1APEX1
SCHEMBL19346220 0.85 MAPT (0.56) ALDH1A1TDP1POLBL3MBTL1APEX1
SCHEMBL19345893 0.84 L3MBTL1 (0.50) ALDH1A1TDP1POLBL3MBTL1APEX1
SCHEMBL19332587 0.84 L3MBTL1 (0.50) ALDH1A1TDP1POLBL3MBTL1APEX1
SCHEMBL17593216 0.82 L3MBTL1 (0.57) ALDH1A1TDP1POLBL3MBTL1KMT2A
SCHEMBL19332346 0.82 L3MBTL1 (0.52) ALDH1A1TDP1POLBL3MBTL1KMT2A
SCHEMBL19332549 0.82 KMT2A (0.52) ALDH1A1TDP1POLBL3MBTL1KMT2A
SCHEMBL19332216 0.82 MAPT (0.57) ALDH1A1TDP1POLBL3MBTL1KMT2A
SCHEMBL19332444 0.81 TDP1 (0.58) ALDH1A1TDP1POLBL3MBTL1APEX1

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-2017156181-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 — — WO disclosed
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