SCHEMBL5206464

SCHEMBL5206464

COc1ccc(CCN2CCN(C(=O)c3cccnc3)CC2CC(N)=O)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 2/20 0.49
CSF1R P07333 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MMP2 P08253 2/20 0.48
ANPEP P15144 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ABCB1 P08183 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
PDGFRB P09619 1/20 0.42
KLK7 P49862 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CHRM3 P20309 1/20 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
SCHEMBL5192328 0.83 TDP1 (0.52) POLBALDH1A1KDM4ETDP1KLK7
SCHEMBL5206469 0.80 POLB (0.50) POLBALDH1A1CSF1RKDM4ETDP1
SCHEMBL5193832 0.80 FABP6 (0.46) POLBMAPK1ALDH1A1KDM4ETDP1
SCHEMBL5191198 0.76 MAPK1 (0.56) POLBMAPK1ALDH1A1KDM4ETDP1
SCHEMBL5206456 0.75 MAPK1 (0.58) POLBMAPK1ALDH1A1CSF1RKDM4E
SCHEMBL5192506 0.74 ALDH1A1 (0.47) MAPK1ALDH1A1KDM4E
SCHEMBL7167924 0.70 MAPK1 (0.69) POLBMAPK1ALDH1A1KDM4EMMP2
SCHEMBL5190894 0.70 LMNA (0.53) POLBALDH1A1KDM4E
SCHEMBL5190175 0.69 ALDH1A1 (0.45) ALDH1A1KDM4EABCB1
SCHEMBL5192047 0.68 KMT2A (0.45) MAPK1ALDH1A1TDP1

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-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP disclosed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP disclosed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 WO disclosed