SCHEMBL14423552

SCHEMBL14423552

CCOC(=O)Cn1c(C)cnc(NCC2(c3ccc(Cl)cc3)CCC2)c1=O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.65
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
P2RX3 P56373 1/20 0.39
ENPP2 Q13822 1/20 0.38
PRSS1 P07477 3/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
TSHR P16473 2/20 0.37
POLB P06746 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GSR P00390 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
SCHEMBL23461138 0.89 F2 (0.51) F2MAPTMEN1ALDH1A1HTT
SCHEMBL14423553 0.89 F2 (0.69) F2P2RX3PRSS1PRSS2PRSS3
SCHEMBL3242816 0.79 F2 (0.57) F2PRSS1PRSS2PRSS3
SCHEMBL23461178 0.79 F2 (0.44) F2MAPTMEN1ALDH1A1HTT
SCHEMBL7139116 0.72 KDM4E (0.45) F2MEN1ALDH1A1RAB9AKMT2A
SCHEMBL23461146 0.70 F2 (0.48) F2ALDH1A1HSD17B10TSHRPOLB
SCHEMBL5475869 0.70 F2 (0.39) F2PRSS1PRSS2PRSS3
SCHEMBL3240571 0.70 TPSAB1 (0.43) F2MEN1ALDH1A1KMT2AP2RX3
SCHEMBL5474694 0.70 F2 (0.64) F2PRSS1PRSS2PRSS3
SCHEMBL8292993 0.69 F2 (0.47) F2ALDH1A1PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262211-B2 Aromatic heterocyclic non-covalent inhibitors of urokinase and blood vessel formation DENDREON CORPORATION (US) 2007-08-28 US disclosed
US-7262211-B2 Aromatic heterocyclic non-covalent inhibitors of urokinase and blood vessel formation DENDREON CORPORATION (US) 2007-08-28 US disclosed