SCHEMBL11077503

SCHEMBL11077503

CC(C)=CCOC(=O)c1cnn(-c2c(Cl)cc(Cl)cc2Cl)c1N

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
MAPK1 P28482 1/20 0.49
TSHR P16473 4/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 4/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 4/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 5/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL10655728 0.84 HTT (0.67) HTTMAPK1TSHRMEN1KMT2A
SCHEMBL10344685 0.80 MAPK1 (0.55) HTTMAPK1TSHRMEN1KMT2A
SCHEMBL11076642 0.77 HTT (0.44) HTTMAPK1TSHRMEN1KMT2A
SCHEMBL6476731 0.75 MAPK1 (0.56) HTTMAPK1TSHRRAB9ASMN1; SMN2
SCHEMBL10344566 0.73 KMT2A (0.46) HTTMAPK1TSHRMEN1KMT2A
SCHEMBL11083137 0.73 MAPK1 (0.55) HTTMAPK1MEN1KMT2AALDH1A1
SCHEMBL9211791 0.73 NPC1 (0.63) HTTTSHRMEN1KMT2AALDH1A1
SCHEMBL17844103 0.72 HTT (0.70) HTTTSHRMEN1KMT2AALDH1A1
SCHEMBL10687209 0.72 HTT (0.63) HTTTSHRMEN1KMT2AALDH1A1
SCHEMBL31117068 0.72 HTT (0.77) HTTTSHRMEN1KMT2AALDH1A1

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-4472192-A POST-AND PREEMERGENCE HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1984-09-18 US disclosed