SCHEMBL19345893

SCHEMBL19345893

Cn1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc2c3c(ccc21)CCC3

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ POLB P06746 4/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ APEX1 P27695 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ KMT2A Q03164 5/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ RXFP1 Q9HBX9 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TP53 P04637 3/20 0.46

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
SCHEMBL19332587 0.98 L3MBTL1 (0.50) L3MBTL1ALDH1A1POLBTDP1APEX1
SCHEMBL19346056 0.84 SMN1; SMN2 (0.43) ALDH1A1POLBKMT2AKDM4EMEN1
SCHEMBL19345895 0.84 IDE (0.54) L3MBTL1ALDH1A1POLBTDP1APEX1
SCHEMBL19332597 0.83 MAPT (0.54) L3MBTL1ALDH1A1POLBTDP1APEX1
SCHEMBL19346000 0.81 THRB (0.37) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL19332443 0.81 TDP1 (0.56) L3MBTL1ALDH1A1POLBTDP1APEX1
SCHEMBL19346220 0.79 MAPT (0.56) L3MBTL1ALDH1A1POLBTDP1APEX1
SCHEMBL17593216 0.78 L3MBTL1 (0.57) L3MBTL1ALDH1A1POLBTDP1KMT2A
SCHEMBL19332346 0.78 L3MBTL1 (0.52) L3MBTL1ALDH1A1POLBTDP1KMT2A
SCHEMBL19332216 0.78 MAPT (0.57) L3MBTL1ALDH1A1POLBTDP1KMT2A

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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