SCHEMBL6966641

SCHEMBL6966641

Cc1ccc(-c2[nH]nc(N3CCN(c4ccccc4)CC3)c2NC=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
MAP4K1 Q92918 1/20 0.40
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTR1A P08908 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ATM Q13315 1/20 0.37
SMO Q99835 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.36
HTR7 P34969 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
SCHEMBL6959295 0.92 MEN1 (0.42) MAP4K1MAPTSMN1; SMN2HTR1AMEN1
SCHEMBL6967175 0.89 KDM4E (0.38) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL6956631 0.88 MAPT (0.44) TP53MAP4K1MAPTSMN1; SMN2NPC1
SCHEMBL6956776 0.88 MAP4K1 (0.42) TP53MAP4K1MAPTSMN1; SMN2HTR1A
SCHEMBL6955333 0.88 POLB (0.42) TP53MAPTSMN1; SMN2HTR1ANPC1
SCHEMBL6968659 0.85 MAP4K1 (0.46) MAP4K1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL6961353 0.84 MAPT (0.40) TP53MAPTSMN1; SMN2HTR1ANPC1
SCHEMBL6961941 0.84 MAPT (0.42) MAPTSMN1; SMN2HTR1AKDM4EMEN1
SCHEMBL6961528 0.83 HTR7 (0.48) TP53MAP4K1MAPTRAB9AKDM4E
SCHEMBL6963927 0.81 ABCG2 (0.45) MAPTSMN1; SMN2HTR1AMEN1KMT2A

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