SCHEMBL8581819

SCHEMBL8581819

COc1cc(SC)ccc1C(=O)N(C)OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 8/20 0.62
▸ GAA P10253 2/20 0.62
▸ KMT2A Q03164 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ NPC1 O15118 5/20 0.55
▸ RAB9A P51151 5/20 0.55
▸ ALDH1A1 P00352 5/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ POLB P06746 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ MAPK1 P28482 1/20 0.51
▸ MAPT P10636 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ NLRP3 Q96P20 1/20 0.49
▸ AGER Q15109 1/20 0.48

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
SCHEMBL8579443 0.83 NPC1 (0.44) HPGDGAAKMT2AMEN1NPC1
SCHEMBL4841763 0.80 NPC1 (0.57) HPGDKMT2AMEN1NPC1RAB9A
SCHEMBL503977 0.79 GAA (0.65) HPGDGAAKMT2AMEN1NPC1
SCHEMBL1018591 0.79 GAA (0.65) HPGDGAAKMT2AMEN1NPC1
SCHEMBL25343037 0.78 CTSL (0.45) HPGDGAAKMT2AMEN1NPC1
SCHEMBL6333477 0.78 FLT1 (0.49) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL6496479 0.78 ALDH1A1 (0.63) HPGDGAAKMT2AMEN1ALDH1A1
SCHEMBL17319164 0.78 KMT2A (0.44) HPGDGAAKMT2AMEN1ALDH1A1
SCHEMBL4654289 0.78 GAA (0.63) HPGDGAAKMT2AMEN1NPC1
SCHEMBL8572424 0.75 CYP3A4 (0.53) KMT2AMEN1ALDH1A1MAPK1MAPT

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-1998013341-A1 HYDROXYBENZOPHENONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1998-04-02 — — WO disclosed
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