SCHEMBL5206448

SCHEMBL5206448

COc1ccc(C(C)NC(=O)CC2CN(C(=O)c3cccnc3)CCN2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
CSF1R P07333 1/20 0.43
PDGFRB P09619 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
LIPG Q9Y5X9 1/20 0.40
KLK7 P49862 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKG1 Q13976 1/20 0.39
CTSK P43235 1/20 0.39
TP53 P04637 1/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
MEN1 O00255 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
SCHEMBL5206456 0.83 MAPK1 (0.58) POLBCSF1RALDH1A1KDM4EMAPK1
SCHEMBL5192336 0.76 ALDH1A1 (0.51) TDP1ALDH1A1KLK7RXFP1MMP1
SCHEMBL5190965 0.76 CHRNB2 (0.51) POLBALDH1A1MAPK1MEN1KMT2A
SCHEMBL5189720 0.75 NOS2 (0.54)
SCHEMBL5193336 0.74 NOS2 (0.44) POLB
SCHEMBL5206469 0.73 POLB (0.50) POLBCSF1RPDGFRBTDP1ALDH1A1
SCHEMBL5193835 0.73 ALDH1A1 (0.48) ALDH1A1MEN1HTTKMT2ASMN1; SMN2
SCHEMBL5192050 0.69 CTSL (0.47) ALDH1A1ROCK2CTSKKMT2A
SCHEMBL5206464 0.66 POLB (0.51) POLBCSF1RPDGFRBTDP1ALDH1A1
SCHEMBL5281219 0.65 ALDH1A1 (0.49) POLBALDH1A1MAPK1CTSKMMP1

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