SCHEMBL7215980

SCHEMBL7215980

Cn1cc(-c2ccc3ccccc3c2)nc1NCc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
GAA P10253 5/20 0.46
TSHR P16473 4/20 0.46
HSD17B10 Q99714 3/20 0.46
TP53 P04637 3/20 0.46
MAPK1 P28482 2/20 0.46
ALOX15 P16050 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 3/20 0.46
HTT P42858 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 2/20 0.46
ALOX12 P18054 1/20 0.46
GFER P55789 1/20 0.46
F2 P00734 3/20 0.42

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 0.88 SMN1; SMN2 (0.49) ALDH1A1TP53KMT2AHTTMEN1
SCHEMBL7217988 0.78 ATP1A1 (0.51)
SCHEMBL7222472 0.77 PSEN1 (0.39)
SCHEMBL7216336 0.76 LMNA (0.45) ALDH1A1GAATSHRTP53HTT
SCHEMBL7222114 0.74 CLK1 (0.49) KDM4EALDH1A1GAAHSD17B10TP53
SCHEMBL7229228 0.71 RAB9A (0.55) KDM4EALDH1A1KMT2AHPGDCYP2C19
SCHEMBL30436961 0.69 INSR (0.62) KDM4EALDH1A1HSD17B10L3MBTL1KMT2A
SCHEMBL7222112 0.68 MAPK9 (0.48) KDM4EALDH1A1GAATSHRHSD17B10
SCHEMBL1945998 0.66 FYN (0.64) KDM4EALDH1A1GAATSHRHSD17B10
SCHEMBL7221640 0.66 ATP1A1 (0.50)

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