SCHEMBL6973427

SCHEMBL6973427

COC(=O)c1cc(Br)cc(OCC(=O)OC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
TNFRSF1A P19438 1/20 0.40
ATM Q13315 1/20 0.39
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
MAPT P10636 5/20 0.38
POLB P06746 3/20 0.38
LMNA P02545 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2C19 P33261 2/20 0.38
BLM P54132 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL14002247 0.90 ATM (0.46) TNFRSF1AATMPSEN1PSEN2APH1B
SCHEMBL16898159 0.87 NOTUM (0.49) NOTUMATMMAPTPOLBLMNA
SCHEMBL4585887 0.86 CA12 (0.53) TNFRSF1AATMPSEN1PSEN2APH1B
SCHEMBL14720986 0.85 MAPT (0.43) TNFRSF1APSEN1PSEN2APH1BNCSTN
SCHEMBL6977750 0.81 NOTUM (0.49) NOTUMATMMAPTPOLBLMNA
SCHEMBL22230427 0.81 KMT2A (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5353265 0.80 SMN1; SMN2 (0.53) MAPTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL16397245 0.79 NOTUM (0.53) NOTUMATMMAPTPOLBLMNA
SCHEMBL17824254 0.79 NOTUM (0.50) NOTUMATMMAPTPOLBLMNA
SCHEMBL5350412 0.79 MAPT (0.60) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021411-B1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LTD (GB) 2003-03-05 EP disclosed
US-6326386-B1 ANTICOAGULANT GLAXO GROUP LIMITED (GB) 2001-12-04 US disclosed
EP-1021411-A1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LIMITED (GB) 2000-07-26 EP disclosed
WO-1997022589-A1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LIMITED (GB) 1997-06-26 WO disclosed