SCHEMBL27759239

SCHEMBL27759239

O=[SH](=O)Cc1ccc2cn(-c3ccc(Cl)cc3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NFKB1 P19838 1/20 0.40
CASP3 P42574 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
PARP1 P09874 3/20 0.38
PARP2 Q9UGN5 1/20 0.38

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
SCHEMBL3226759 0.74 NPC1 (0.55) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL3676457 0.72 NPC1 (0.45) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL3213503 0.71 PTGS2 (0.50) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL3223391 0.71 MAPT (0.76) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL3219976 0.71 KMT2A (0.44) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL28748681 0.71 MEN1 (0.59) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL28748631 0.70 MEN1 (0.59) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL5077845 0.70 MEN1 (0.57) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL1712561 0.70 ADORA3 (0.54) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL28544979 0.70 ESR2 (0.51) NPC1RAB9AKMT2AMAPTMEN1

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
CN-101420952-A Treatment of duchenne muscular dystrophy SUMMIT CORP PLC (GB) 2009-04-29 CN disclosed