SCHEMBL7136366

SCHEMBL7136366

O=C1Cc2ccccc2Sc2ccc(O)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
LMNA P02545 1/20 1.00
KMT2A Q03164 6/20 0.68
MEN1 O00255 5/20 0.68
HPGD P15428 3/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
MAPT P10636 2/20 0.68
KDM4E B2RXH2 2/20 0.68
BLM P54132 1/20 0.56
HTT P42858 1/20 0.56
ATM Q13315 1/20 0.56
PTGS2 P35354 1/20 0.50
OPRK1 P41145 1/20 0.50
PDE4D Q08499 1/20 0.50
PBRM1 Q86U86 1/20 0.41
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
TYR P14679 2/20 0.40
ALOX5 P09917 1/20 0.39
MAOA P21397 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
SCHEMBL5644218 0.84 ALDH1A1 (0.73) ALDH1A1LMNAKMT2AMEN1HPGD
SCHEMBL7110795 0.83 ALDH1A1 (0.70) ALDH1A1LMNAKMT2AMEN1HPGD
SCHEMBL3749553 0.81 ALDH1A1 (1.00) ALDH1A1LMNAKMT2AMEN1HPGD
SCHEMBL5362218 0.81 HPGD (1.00) ALDH1A1LMNAKMT2AMEN1HPGD
SCHEMBL4734710 0.81 KMT2A (0.78) ALDH1A1LMNAKMT2AMEN1HPGD
SCHEMBL563504 0.81 KMT2A (0.68) ALDH1A1LMNAKMT2AMEN1HPGD
SCHEMBL7132659 0.81 ALDH1A1 (0.68) ALDH1A1LMNAKMT2AMEN1HPGD
SCHEMBL11299791 0.80 HPGD (0.71) ALDH1A1LMNAKMT2AMEN1HPGD
SCHEMBL30489960 0.80 ALDH1A1 (0.66) ALDH1A1LMNAKMT2AMEN1HPGD
SCHEMBL11012579 0.80 HPGD (0.66) ALDH1A1LMNAKMT2AMEN1HPGD

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
US-20030087306-A1 Methods for identifying novel multimeric agents that modulate receptors THERAVANCE BIOPHARMA R&D IP, LLC 2003-05-08 US disclosed