SCHEMBL8017131

SCHEMBL8017131

COc1ccc(-c2sc3ccccc3c2C=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.63
ATM Q13315 4/20 0.59
L3MBTL1 Q9Y468 4/20 0.59
TDP1 Q9NUW8 4/20 0.59
CNR1 P21554 2/20 0.59
CNR2 P34972 2/20 0.59
MAPT P10636 3/20 0.52
HPGD P15428 2/20 0.52
NPC1 O15118 2/20 0.52
ALDH1A1 P00352 2/20 0.52
RAB9A P51151 2/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
MAPK1 P28482 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL30558082 0.85 TUBB4A (0.53) HSP90AA1ATML3MBTL1TDP1CNR1
SCHEMBL16346288 0.85 TUBB4A (0.53) HSP90AA1ATML3MBTL1TDP1CNR1
SCHEMBL9587486 0.83 HSP90AA1 (0.44) HSP90AA1ATML3MBTL1TDP1CNR1
SCHEMBL7776300 0.83 HSP90AA1 (0.83) HSP90AA1ATML3MBTL1TDP1CNR1
SCHEMBL5792570 0.82 L3MBTL1 (0.49) HSP90AA1ATML3MBTL1TDP1CNR1
SCHEMBL14709198 0.80 L3MBTL1 (0.41) HSP90AA1ATML3MBTL1TDP1CNR1
SCHEMBL1347570 0.80 KDM4E (0.41) HSP90AA1ATML3MBTL1TDP1CNR1
SCHEMBL18805450 0.79 L3MBTL1 (0.59) HSP90AA1ATML3MBTL1TDP1CNR1
SCHEMBL28445468 0.79 APP (0.48) HSP90AA1ATML3MBTL1TDP1CNR1
SCHEMBL6597757 0.77 L3MBTL1 (0.59) HSP90AA1ATML3MBTL1TDP1CNR1

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-6025382-A Antithrombotic diamines ELI LILLY AND COMPANY (US) 2000-02-15 US disclosed