SCHEMBL9423167

SCHEMBL9423167

COC1(N(C)C)C=CC(C(=O)Nc2ccccc2)C=C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.40
TGM2 P21980 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TOP2A P11388 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 3/20 0.38
GFER P55789 2/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ATM Q13315 1/20 0.38
GLA P06280 1/20 0.38
THRB P10828 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
SCHEMBL10339863 0.77 HPGD (0.46) F13A1TGM2HPGDNAPRTHSD17B10
SCHEMBL1413119 0.75 F13A1 (0.46) F13A1TGM2HPGDNAPRTHSD17B10
SCHEMBL11219965 0.75 HPGD (0.45) F13A1TGM2HPGDNAPRTHSD17B10
SCHEMBL8985174 0.71 MEN1 (0.41) F13A1TGM2KDM4EHPGDNAPRT
SCHEMBL1404328 0.70 TOP2A (0.42) F13A1TGM2KDM4EHPGDNAPRT
SCHEMBL9262914 0.70 MEN1 (0.42) F13A1TGM2HPGDTOP2ASLC22A12
SCHEMBL9271641 0.69 POLB (0.41) F13A1TGM2HPGDTOP2ASLC22A12
SCHEMBL9746506 0.68 F13A1 (0.40) F13A1TGM2KDM4EHPGDTOP2A
SCHEMBL6865135 0.67 F13A1 (0.38) F13A1TGM2HPGDNAPRTHSD17B10
SCHEMBL1252939 0.65 HPGD (0.44) F13A1TGM2HPGDNAPRTHSD17B10

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-5278180-A 4,5-bis(aryl) 4H-1,2,4-triazoles derivatives and analgesic use ROUSSEL UCLAF (FR) 1994-01-11 US disclosed