SCHEMBL9005161

SCHEMBL9005161

COc1cnnc(Oc2ccnc(SC(F)F)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
BRCA1 P38398 1/20 0.32
HBB P68871 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL9005117 0.82 F2RL3 (0.36) CCR1CCR5CCR8NOS3NOS1
SCHEMBL9005132 0.78 HDAC1 (0.36) CCR1CCR5CCR8NOS3NOS1
SCHEMBL9005135 0.76 HDAC1 (0.39) CCR1CCR5CCR8NOS3NOS1
SCHEMBL9005033 0.75 CYP11B1 (0.36) CCR1CCR5CCR8NOS3NOS1
SCHEMBL9005129 0.74 HDAC1 (0.40) CCR1CCR5CCR8NOS3NOS1
SCHEMBL10321794 0.70 LTA4H (0.48) KDM4EMEN1ALDH1A1BRCA1HBB
SCHEMBL9005032 0.68 RAB9A (0.42) NOS3NOS2MEN1KMT2AHDAC1
SCHEMBL9005147 0.68 GRM5 (0.41) KDM4EMEN1ALDH1A1BRCA1HBB
SCHEMBL8932310 0.67 MAPT (0.50) KDM4EALDH1A1KMT2A
SCHEMBL8932300 0.63 KDM4E (0.48) KDM4EALDH1A1KMT2A

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-5484761-A PRE OR POSTEMERGENT HERBICIDES MONSANTO COMPANY (US) 1996-01-16 US claimed