SCHEMBL10613653

SCHEMBL10613653

CCOC(=O)c1cccc(NC(=O)c2sccc2CNC(=N)N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.57
HSD17B10 Q99714 2/20 0.57
RAB9A P51151 7/20 0.52
MAPT P10636 7/20 0.52
NPC1 O15118 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
LMNA P02545 3/20 0.52
TSHR P16473 2/20 0.52
ALDH1A1 P00352 3/20 0.52
NR1H2 P55055 2/20 0.51
NR1H3 Q13133 2/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
SREBF1 P36956 1/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
NAMPT P43490 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TP53 P04637 3/20 0.47

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
SCHEMBL30300538 0.81 MAPK1 (0.69) MAPK1HSD17B10RAB9AMAPTNPC1
SCHEMBL8687140 0.78 KMT2A (0.65) MAPK1HSD17B10RAB9AMAPTNPC1
SCHEMBL3606993 0.75 KMT2A (0.54) MAPK1HSD17B10RAB9AMAPTNPC1
Nitrous Acid SCHEMBL5998440 0.74 KMT2A (0.60) MAPK1HSD17B10RAB9AMAPTNPC1
SCHEMBL27245351 0.73 NR1H3 (0.64) MAPK1HSD17B10RAB9AMAPTNPC1
SCHEMBL29944893 0.73 NR1H3 (0.64) MAPK1HSD17B10RAB9AMAPTNPC1
SCHEMBL8123409 0.73 KMT2A (0.68) MAPK1HSD17B10RAB9AMAPTNPC1
Nitric Acid SCHEMBL1927242 0.72 NPSR1 (0.59) MAPK1HSD17B10RAB9AMAPTNPC1
SCHEMBL6793571 0.72 RAB9A (0.76) MAPK1HSD17B10RAB9AMAPTNPC1
SCHEMBL7533552 0.72 NR1H3 (0.57) MAPK1HSD17B10RAB9AMAPTNPC1

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
JP-63284170-A None JP disclosed
JP-S63284170-A NOVEL GUANIDINOMETHYL-THIOPHENECARBOXYLIC ACID DERIVATIVE NIPPON REDARII KK 1988-11-21 JP disclosed