SCHEMBL6955336

SCHEMBL6955336

Cc1cccc(-c2[nH]nc(N3CCN(c4ccccc4)CC3)c2N=C=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
MAPT P10636 9/20 0.41
KCNH2 Q12809 1/20 0.40
HTR7 P34969 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
HTR3A P46098 1/20 0.38
HTR6 P50406 1/20 0.38
TP53 P04637 1/20 0.37
TACR3 P29371 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6966648 0.88 TP53 (0.41) POLBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6966890 0.87 KIT (0.47) MAPTHTR7SMN1; SMN2KDM4EHTR1A
SCHEMBL6952938 0.87 MAP4K1 (0.41) HTR7TACR3ALDH1A1
SCHEMBL6959299 0.87 MEN1 (0.42) POLBMAPTHTR1ATACR3
SCHEMBL6965770 0.83 MAPT (0.42) MAPTHTR7KDM4EHTR1ATACR3
SCHEMBL6961535 0.82 KIT (0.47) POLBMAPTHTR7SMN1; SMN2RAB9A
SCHEMBL6961354 0.81 CHRNA7 (0.37) POLBMAPTHTR7SMN1; SMN2HTR1A
SCHEMBL6960766 0.81 MAPT (0.35) POLBMAPTKCNH2SMN1; SMN2KDM4E
SCHEMBL6956633 0.81 MAPT (0.44) POLBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6956780 0.81 MAP4K1 (0.42) MAPTSMN1; SMN2KDM4ETP53ALDH1A1

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