SCHEMBL6590210

SCHEMBL6590210

Cc1cccc2c1O[N+](=O)CC2=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.34
PARP1 P09874 2/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
DAO P14920 1/20 0.33
TYMS P04818 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
DHODH Q02127 1/20 0.30
ABCB1 P08183 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL1553785 0.72 MAOB (0.42) KDM4E
SCHEMBL12178135 0.71 PARP1 (0.54) ACHEPARP1PARP10PARP11MEN1
SCHEMBL31170819 0.68 MAPT (0.43) ACHEPARP1PARP10PARP11MEN1
SCHEMBL19744350 0.68 MAPT (0.43) ACHEPARP1PARP10PARP11MEN1
SCHEMBL1889028 0.66 KMT2A (0.49) MEN1KMT2AALDH1A1ABCB1KDM4E
SCHEMBL12884761 0.65 TDP1 (0.46) ACHEPARP1PARP10PARP11MEN1
SCHEMBL29222700 0.64 BRD4 (0.41) ACHEPARP1PARP10PARP11BRD4
SCHEMBL11426094 0.63 SIRT2 (0.46) ACHEBRD4CREBBPALDH1A1ABCB1
SCHEMBL2112468 0.61 TYMS (0.44) MEN1KMT2ATYMSALDH1A1POLB
SCHEMBL2113893 0.61 KDM4E (0.42) MEN1KMT2ATYMSALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040108-B1 ORTHO-ANTHRANILAMIDE DERIVATIVES AS ANTI-COAGULANTS SCHERING AG (DE) 2004-02-25 EP disclosed
US-6498185-B1 ENZYME FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. 2002-12-24 US disclosed
US-6380221-B1 FOR THERAPY OF DISEASE-STATES CHARACTERIZED BY THROMBOTIC ACTIVITY BERLEX LABORATORIES, INC. 2002-04-30 US disclosed
US-6140351-A FOR TREATING THROMBOSIS BERLEX LABORATORIES, INC. (US) 2000-10-31 US disclosed
EP-1040108-A1 ORTHO-ANTHRANILAMIDE DERIVATIVES AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-10-04 EP disclosed
WO-1999032477-A1 ORTHO-ANTHRANILAMIDE DERIVATIVES AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-07-01 WO disclosed