SCHEMBL6968664

SCHEMBL6968664

CCOc1ccc(-c2[nH]nc(N3CCN(c4ccccc4)CC3)c2N=C=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 4/20 0.46
MAPT P10636 6/20 0.42
ALDH1A1 P00352 5/20 0.42
HTT P42858 3/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PKM P14618 1/20 0.38
CHRNA7 P36544 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL6956633 0.89 MAPT (0.44) MAP4K1MAPTALDH1A1TSHRHPGD
SCHEMBL6959299 0.86 MEN1 (0.42) MAP4K1MAPTHPGDPOLBMEN1
SCHEMBL6954193 0.86 ALDH1A1 (0.44) MAP4K1MAPTALDH1A1TSHRHPGD
SCHEMBL6966648 0.85 TP53 (0.41) MAP4K1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL6956780 0.82 MAP4K1 (0.42) MAP4K1MAPTALDH1A1TSHRHPGD
SCHEMBL6961535 0.80 KIT (0.47) MAP4K1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL6966890 0.80 KIT (0.47) MAPTALDH1A1HTTTSHRHPGD
SCHEMBL6955336 0.78 POLB (0.42) MAPTALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL6965770 0.78 MAPT (0.42) MAP4K1MAPTALDH1A1KDM4E
SCHEMBL6968659 0.78 MAP4K1 (0.46) MAP4K1MAPTALDH1A1HTTTSHR

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