SCHEMBL7216336

SCHEMBL7216336

Cn1cc(-c2ccc3ccccc3c2)nc1NCc1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
GPR39 O43194 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
TP53 P04637 4/20 0.39
MAPT P10636 3/20 0.39
SLC2A1 P11166 1/20 0.39
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HIF1A Q16665 1/20 0.38
CDC7 O00311 1/20 0.38
TSHR P16473 1/20 0.37
PDE9A O76083 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR1I3 Q14994 1/20 0.36
GPR18 Q14330 1/20 0.36
GAA P10253 1/20 0.36
VDR P11473 1/20 0.35

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
SCHEMBL7222413 0.85 SMN1; SMN2 (0.49) LMNAGPR39NPSR1TP53MAPT
SCHEMBL7215528 0.77 ATP1A1 (0.41) LMNANPSR1TP53MAPTHTT
SCHEMBL7215736 0.77 ATP1A1 (0.36)
SCHEMBL7215980 0.76 KDM4E (0.46) LMNATP53MAPTHTTALDH1A1
SCHEMBL7222082 0.76 GPR39 (0.41) LMNAGPR39MAPTSLC2A1CDC7
SCHEMBL7216143 0.73 ATP1A1 (0.51)
SCHEMBL7221640 0.72 ATP1A1 (0.50)
SCHEMBL7222080 0.70 LMNA (0.48) LMNAGPR39TP53MAPTSLC2A1
SCHEMBL7229228 0.69 RAB9A (0.55) NPSR1MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL7222175 0.68 GAA (0.62) LMNATP53MAPTHTTALDH1A1

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
US-6596739-B2 Anticarcinogenic agents, cardiovascular disorders and antiinflammatory agents THE PROCTER & GAMBLE COMPANY 2003-07-22 US claimed