SCHEMBL7668909

SCHEMBL7668909

CC(Cc1cccc(Cn2c(Cl)nn(C)c2=O)c1)=NOCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.37
MAPT P10636 4/20 0.36
LMNA P02545 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
BRAF P15056 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KDM4A O75164 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX15 P16050 1/20 0.34
PKM P14618 1/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7665010 0.85 NPC1 (0.50) TP53LMNANPC1RAB9AHTT
SCHEMBL7665012 0.85 NPC1 (0.50) TP53LMNANPC1RAB9AHTT
SCHEMBL7669055 0.75 HPGD (0.45) TP53MAPTLMNAALDH1A1TSHR
SCHEMBL7671289 0.72 PPARG (0.48) LMNANPC1RAB9AALDH1A1HTT
SCHEMBL7671293 0.72 PPARG (0.48) LMNANPC1RAB9AALDH1A1HTT
SCHEMBL27761176 0.66 MAOB (0.46) LMNANPC1RAB9AALDH1A1TSHR
SCHEMBL25890135 0.66 NPC1 (0.42) TP53MAPTLMNANPC1RAB9A
SCHEMBL7667380 0.65 CA2 (0.43) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL11274824 0.64 NPC1 (0.45) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL2050802 0.64 NPC1 (0.47) MAPTLMNANPC1RAB9AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6489487-B1 AGRICULTURAL OR HORTICULTURAL FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-03 US disclosed
EP-1103548-A1 TRIAZOLONE DERIVATIVES, USE THEREOF, AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-05-30 EP disclosed