SCHEMBL8027049

SCHEMBL8027049

N#Cc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.73
▸ ALDH1A1 P00352 7/20 0.54
▸ KMT2A Q03164 7/20 0.54
▸ MEN1 O00255 6/20 0.54
▸ MAPT P10636 5/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ HTT P42858 3/20 0.50
▸ THRB P10828 2/20 0.50
▸ GAA P10253 2/20 0.50

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
SCHEMBL31675013 0.85 LMNA (0.80) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL31675008 0.84 LMNA (0.77) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL31675010 0.81 LMNA (0.77) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL7968011 0.80 ALDH1A1 (0.56) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL27625364 0.77 LMNA (0.66) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL3207417 0.76 LMNA (0.64) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL29979179 0.76 LMNA (0.64) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL6939616 0.74 MEN1 (0.51) KMT2AMEN1GAA
SCHEMBL12417226 0.74 LMNA (0.62) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL9830210 0.73 KMT2A (0.73) LMNAALDH1A1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060166-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS Boehringer Ingelheim Pharma KG (DE) 2000-12-20 — — EP disclosed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 — — US disclosed
WO-1999040072-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-08-12 — — WO disclosed
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