SCHEMBL2807304

SCHEMBL2807304

Clc1ccc(Cl)c(-n2ncc3c(Cl)nc(Cl)nc32)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.48
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 3/20 0.38
LMNA P02545 2/20 0.37
CDK4 P11802 2/20 0.36
CCND1 P24385 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GRM1 Q13255 3/20 0.36
ESR1 P03372 1/20 0.35
GRM5 P41594 1/20 0.35
ALOX12 P18054 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
P2RX7 Q99572 1/20 0.34

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
SCHEMBL16981667 0.82 ALDH1A1 (0.47) PDE9AMAPTLMNAGRM1GRM5
SCHEMBL2809356 0.78 GRM1 (0.54) HTTMAPTTP53LMNAKDM4E
SCHEMBL2808939 0.77 PDE9A (0.47) PDE9ATHRBL3MBTL1HTTMAPT
SCHEMBL2786336 0.77 GRM1 (0.55) THRBMAPTTP53LMNAKDM4E
SCHEMBL25342657 0.74 CYP17A1 (0.46) MAPT
SCHEMBL839353 0.73 TP53 (0.48) THRBMAPTTP53LMNAKDM4E
SCHEMBL31341680 0.72 CYP17A1 (0.34) MAPTGRM1
SCHEMBL31260942 0.72 CYP17A1 (0.38) HTTMAPTTP53LMNAKDM4E
SCHEMBL25344631 0.72 CYP17A1 (0.38) HTTTP53LMNAGRM1GRM5
SCHEMBL175236 0.72 ALDH1A1 (0.49) THRBHTTMAPTTP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010118367-A2 ANTIVIRAL PYRIMIDINES PROGENICS PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed