SCHEMBL9400491

SCHEMBL9400491

CCN(CC)c1ccc(NC2(NC(C)=O)C(=O)N(c3ccccc3)N=C2NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
ALDH1A1 P00352 5/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41
MCL1 Q07820 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
LMNA P02545 3/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA7 P36544 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNA10 Q9GZZ6 1/20 0.38
CHRNA9 Q9UGM1 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
SCHEMBL9400362 0.98 MAPT (0.41) MAPTALDH1A1TSHRKDM4ERAB9A
SCHEMBL9400364 0.96 MCHR1 (0.43) MAPTALDH1A1TSHRKDM4ERAB9A
SCHEMBL9400452 0.92 NPC1 (0.42) MAPTALDH1A1KDM4ERAB9AHSD17B10
SCHEMBL9400392 0.91 MAPT (0.37) MAPTALDH1A1TSHRKDM4ERAB9A
SCHEMBL7761024 0.91 MAPT (0.43) MAPTALDH1A1TSHRRAB9AMCL1
SCHEMBL7759853 0.90 MEN1 (0.41) MAPTALDH1A1TSHRRAB9AMCL1
Diethylamine SCHEMBL9400493 0.89 CHRNB2 (0.40) MAPTALDH1A1RAB9AMCL1LMNA
SCHEMBL9400443 0.89 MAPT (0.38) MAPTALDH1A1TSHRKDM4ERAB9A
SCHEMBL9400358 0.89 MAPT (0.39) MAPTALDH1A1TSHRKDM4ERAB9A
SCHEMBL9400372 0.89 MAPT (0.38) MAPTALDH1A1TSHRKDM4ERAB9A

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