SCHEMBL6966403

SCHEMBL6966403

COc1ccccc1-c1[nH]nc(N2CCN(c3ccccc3)CC2)c1N=C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.43
MAPT P10636 5/20 0.42
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 4/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR7 P34969 3/20 0.42
HTR2B P41595 2/20 0.42
GFER P55789 2/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 2/20 0.40
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
HTR3A P46098 1/20 0.39
PRNP P04156 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL6961354 0.86 CHRNA7 (0.37) MAPTALDH1A1HSD17B10LMNATSHR
SCHEMBL6961535 0.85 KIT (0.47) MAPTALDH1A1HSD17B10KDM4ELMNA
SCHEMBL6956633 0.83 MAPT (0.44) MAPTALDH1A1HSD17B10KDM4ELMNA
SCHEMBL6959773 0.81 KIT (0.38) MAPTALDH1A1HSD17B10KDM4ELMNA
SCHEMBL6954193 0.81 ALDH1A1 (0.44) MAPTALDH1A1HSD17B10KDM4ELMNA
SCHEMBL6966890 0.81 KIT (0.47) MAPTALDH1A1KDM4ELMNAHPGD
SCHEMBL6959299 0.80 MEN1 (0.42) MAPTLMNAHPGDMAP4K1MEN1
SCHEMBL6966648 0.79 TP53 (0.41) MAPTALDH1A1LMNAHPGDL3MBTL1
SCHEMBL6956780 0.77 MAP4K1 (0.42) MAPTALDH1A1HSD17B10KDM4EHPGD
SCHEMBL6955336 0.77 POLB (0.42) MAPTALDH1A1HSD17B10KDM4ETDP1

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
EP-0955293-B1 UREA DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-19 EP claimed