SCHEMBL8932452

SCHEMBL8932452

COc1ccc(CSC2CNC(=NC(=O)c3ccccc3)NC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MCL1 Q07820 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
THRB P10828 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC3 O15379 1/20 0.37
NCOR1 O75376 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL8932424 0.89 KMT2A (0.47) KMT2AALDH1A1SMN1; SMN2THRBTSHR
SCHEMBL8932463 0.85 NAAA (0.40) KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8932404 0.82 IDO1 (0.38) KMT2AMEN1ALDH1A1SMN1; SMN2TDP1
SCHEMBL8932570 0.79 GAA (0.39) KMT2AMEN1ALDH1A1SMN1; SMN2ACHE
SCHEMBL8932411 0.76 BCHE (0.39) SMN1; SMN2ACHETSHR
SCHEMBL8932546 0.75 CRBN (0.44) ACHE
SCHEMBL8932509 0.74 TP53 (0.40) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL8932477 0.74 MAOB (0.40) ALDH1A1L3MBTL1TDP1
SCHEMBL8932409 0.73 APP (0.42) ALDH1A1SMN1; SMN2TSHRTP53
SCHEMBL8932562 0.72 GSK3B (0.37) ALDH1A1L3MBTL1TDP1TSHR

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-1996026939-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-06 WO disclosed