SCHEMBL6594759

SCHEMBL6594759

COc1ccc(Oc2csc3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
MAPT P10636 6/20 0.47
TP53 P04637 2/20 0.47
ALDH1A1 P00352 4/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HPGD P15428 3/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
ESR1 P03372 1/20 0.43
G6PD P11413 1/20 0.43
MAOB P27338 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL24792264 0.85 CYP2A6 (0.42) LTA4HMAPTALDH1A1MAPK1HPGD
SCHEMBL30065511 0.85 CYP2A6 (0.42) LTA4HMAPTALDH1A1MAPK1HPGD
SCHEMBL29968024 0.81 TUBB4A (0.51) MAPTTP53ALDH1A1MAPK1HPGD
SCHEMBL6597264 0.81 TUBB4A (0.51) MAPTTP53ALDH1A1MAPK1HPGD
SCHEMBL10324828 0.79 CYP2A6 (0.38) MAPTTP53ALDH1A1MAPK1ESR1
SCHEMBL7926784 0.77 BACE1 (0.46) MAPTTP53ALDH1A1MAPK1HPGD
SCHEMBL6550609 0.76 LMNA (0.47) LTA4HMAPTL3MBTL1LMNACYP1A2
SCHEMBL5368387 0.76 MAOB (0.54) MAPTTP53ALDH1A1MAPK1L3MBTL1
SCHEMBL7456933 0.76 BACE1 (0.47) MAPTTP53ALDH1A1MAPK1HPGD
SCHEMBL28348551 0.75 ICAM1 (0.45) TP53ALDH1A1MAPK1LMNAESR1

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
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-6025382-A Antithrombotic diamines ELI LILLY AND COMPANY (US) 2000-02-15 US disclosed
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed