SCHEMBL24048409

SCHEMBL24048409

NCc1ccc(N)c(Cl)c1S

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.40
AOC1 P19801 2/20 0.33
AOC3 Q16853 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DPP4 P27487 1/20 0.32
CYP3A4 P08684 2/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL21752116 0.72 TSHR (0.39) ALDH1A1TDP1MEN1NPC1POLB
SCHEMBL5591177 0.70 PNMT (0.62) PNMTAOC1AOC3ALDH1A1TDP1
SCHEMBL10494560 0.68 CYP3A4 (0.43) ALDH1A1TDP1MEN1NPC1POLB
SCHEMBL11399402 0.68 CTRC (0.35) ALDH1A1TDP1MEN1NPC1POLB
SCHEMBL48329 0.67 CYP3A4 (0.39) PNMTALDH1A1TDP1MEN1NPC1
SCHEMBL29987755 0.67 CYP3A4 (0.39) PNMTALDH1A1TDP1MEN1NPC1
SCHEMBL526351 0.66 ALDH1A1 (0.50) ALDH1A1TDP1MEN1NPC1POLB
SCHEMBL8848222 0.64 AOC1 (0.39) PNMTAOC1AOC3DPP4
SCHEMBL671453 0.64 PNMT (0.54) PNMTAOC1AOC3ALDH1A1DPP4
SCHEMBL21852155 0.64 POLB (0.40) ALDH1A1TDP1MEN1NPC1POLB

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-2021236775-A1 SMALL MOLECULE DEGRADERS OF SHP2 PROTEIN THE REGENTS OF THE UNIVERSITY OFMICHIGAN (US) 2021-11-25 WO disclosed