SCHEMBL6961353

SCHEMBL6961353

Cc1ccccc1-c1[nH]nc(N2CCN(c3ccccc3)CC2)c1NC=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
ALDH1A1 P00352 6/20 0.40
SMO Q99835 1/20 0.36
LMNA P02545 2/20 0.36
GFER P55789 1/20 0.36
MAPK1 P28482 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
STK4 Q13043 1/20 0.35
STK3 Q13188 1/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
PKM P14618 1/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 2/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL6966395 0.86 FYN (0.43) MAPTALDH1A1LMNAGFERMAPK1
SCHEMBL6966641 0.84 TP53 (0.41) MAPTALDH1A1SMOLMNASMN1; SMN2
SCHEMBL6955333 0.81 POLB (0.42) MAPTALDH1A1SMN1; SMN2HTR1AHTR7
SCHEMBL6967175 0.80 KDM4E (0.38) MAPTALDH1A1LMNAGFERSMN1; SMN2
SCHEMBL6956776 0.79 MAP4K1 (0.42) MAPTALDH1A1LMNAGFERMAPK1
SCHEMBL6956631 0.79 MAPT (0.44) MAPTALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL6963927 0.77 ABCG2 (0.45) MAPTALDH1A1LMNAGFERSMN1; SMN2
SCHEMBL6961941 0.77 MAPT (0.42) MAPTALDH1A1SMOLMNASMN1; SMN2
SCHEMBL6961528 0.77 HTR7 (0.48) MAPTALDH1A1LMNAGFERHTR7
SCHEMBL6952935 0.77 MAP4K1 (0.41) ALDH1A1HTR7

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