SCHEMBL6597757

SCHEMBL6597757

COc1ccc(-c2sc3ccccc3c2Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.59
TDP1 Q9NUW8 5/20 0.59
ATM Q13315 4/20 0.59
CNR1 P21554 2/20 0.59
CNR2 P34972 2/20 0.59
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HSP90AA1 P07900 1/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
HPGD P15428 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 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

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
SCHEMBL6832588 0.84 TUBB4A (0.57) L3MBTL1TDP1ATMCNR1CNR2
SCHEMBL7106457 0.83 ITGA4 (0.53) L3MBTL1TDP1ATMCNR1CNR2
SCHEMBL11556150 0.81 L3MBTL1 (0.57) L3MBTL1TDP1ATMCNR1CNR2
SCHEMBL15954746 0.81 TUBB4A (0.48) L3MBTL1TDP1ATMCNR1CNR2
SCHEMBL6437003 0.81 GPR3 (0.46) L3MBTL1TDP1ATMCNR1CNR2
SCHEMBL28515985 0.81 TDP1 (0.59) L3MBTL1TDP1ATMCNR1CNR2
SCHEMBL6808979 0.81 ATM (0.59) L3MBTL1TDP1ATMCNR1CNR2
SCHEMBL7350955 0.80 L3MBTL1 (0.40) L3MBTL1TDP1ATMCNR1CNR2
SCHEMBL6594160 0.79 TUBB4A (0.59) L3MBTL1TDP1ATMCNR1CNR2
SCHEMBL7936824 0.79 ESR1 (0.56) L3MBTL1TDP1CNR1CNR2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863755-B1 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 2004-12-15 EP disclosed
EP-0997460-B1 Benzothiophene compounds as antithrombotic agents and intermediates LILLY CO ELI (US) 2002-12-11 EP disclosed
US-6265575-B1 THROMBIN INHIBITORS ELI LILLY AND COMPANY 2001-07-24 US disclosed
US-6251921-B1 ADMINISTERING THROMBIN INHIBITING DIAMINE COMPOUND TO MAMMAL ELI LILLY AND COMPANY 2001-06-26 US disclosed
US-6133262-A 3-AMINOBENZO(B)THIOPHENE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-10-17 US disclosed
EP-0997460-A1 Benzothiophene compounds as antithrombotic agents and intermediates ELI LILLY AND COMPANY (US) 2000-05-03 EP disclosed
US-6025382-A Antithrombotic diamines ELI LILLY AND COMPANY (US) 2000-02-15 US disclosed