SCHEMBL9400350

SCHEMBL9400350

CCN(CC)c1ccc(NC2(NC(C)=O)C(=O)N(c3ccccc3)N=C2NC(=O)c2cccc(OCCCS(=O)(=O)c3ccc(C)cc3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
LMNA P02545 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
TDP1 Q9NUW8 1/20 0.37
NR1H4 Q96RI1 4/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KAT6A Q92794 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 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
SCHEMBL9400443 0.93 MAPT (0.38) MAPTALDH1A1MAPK1KMT2ATDP1
Diethylamine SCHEMBL9400354 0.91 NR1H4 (0.40) LMNAALDH1A1MAPK1MEN1KMT2A
SCHEMBL9400372 0.91 MAPT (0.38) MAPTALDH1A1MAPK1KMT2ATDP1
SCHEMBL9400392 0.89 MAPT (0.37) MAPTLMNAALDH1A1MAPK1L3MBTL1
SCHEMBL9400371 0.88 MAPT (0.37) MAPTLMNAALDH1A1MAPK1L3MBTL1
SCHEMBL9400358 0.88 MAPT (0.39) MAPTLMNAALDH1A1MAPK1MEN1
SCHEMBL9400438 0.87 PTGES (0.37) MAPTLMNAALDH1A1MAPK1MEN1
SCHEMBL9400352 0.86 ALDH1A1 (0.35) MAPTLMNAALDH1A1MAPK1L3MBTL1
SCHEMBL9400362 0.84 MAPT (0.41) MAPTLMNAALDH1A1MAPK1L3MBTL1
Diethylamine SCHEMBL9400448 0.84 NR1H4 (0.36) MAPTALDH1A1MEN1KMT2ANR1H4

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
US-5372917-A Excellent color forming property, storage stability and recorded image preservability; pyrazolone derivatives KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1994-12-13 US disclosed