SCHEMBL4833607

SCHEMBL4833607

CN(C)c1cccc2c(=O)[nH]c3c(c12)Cc1ccccc1-3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
PARP1 P09874 11/20 0.46
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
NTRK1 P04629 2/20 0.38
KDR P35968 2/20 0.38
MAP3K9 P80192 2/20 0.38
MAP3K10 Q02779 2/20 0.38
MAP3K11 Q16584 2/20 0.38
KDM4E B2RXH2 1/20 0.37
NSD2 O96028 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EGFR P00533 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL7200645 0.86 CA1 (0.45) CA1CA2CA4CA6PARP1
SCHEMBL4954076 0.80 CA1 (0.51) CA1CA2CA4CA6PARP1
SCHEMBL2763222 0.77 PARP1 (0.70) CA1CA2CA4CA6PARP1
SCHEMBL4863324 0.76 KMT2A (0.45) CA1CA2CA4CA6PARP1
SCHEMBL2763163 0.74 PARP1 (0.46) CA1CA2CA4CA6PARP1
SCHEMBL6899170 0.72 PARP1 (0.45) CA1CA2CA4CA6PARP1
SCHEMBL2784194 0.71 CA1 (0.39) CA1CA2CA4CA6PARP1
SCHEMBL30341585 0.69 PNMT (0.49) CA1CA2CA4CA6MEN1
SCHEMBL1509311 0.69 PNMT (0.49) CA1CA2CA4CA6MEN1
Hydrochloric Acid SCHEMBL2870709 0.68 PNMT (0.47) CA1CA2CA4CA6MEN1

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-1784186-A4 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE INOTEK PHARMACEUTICALS CORP (US) 2008-05-14 EP disclosed
EP-1784186-A2 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE Inotek Pharmaceuticals Corporation (US) 2007-05-16 EP disclosed
WO-2006009718-A2 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE INOTEK PHARMACEUTICALS CORPORATION (US) 2006-01-26 WO disclosed