SCHEMBL6178960

SCHEMBL6178960

CN(c1cccnc1-c1ccccc1C(N)=O)S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TRPV1 Q8NER1 1/20 0.45
TSHR P16473 2/20 0.41
CSNK1A1 P48729 1/20 0.41
TYRO3 Q06418 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
BCAT2 O15382 1/20 0.39
PARP1 P09874 1/20 0.38
GRM5 P41594 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
PTK2 Q05397 2/20 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
SCHEMBL29740080 0.90 KMT2A (0.48) KMT2AMEN1HSD17B10TRPV1TSHR
SCHEMBL28002534 0.79 KMT2A (0.66) KMT2AMEN1HSD17B10TSHRL3MBTL1
Hydrochloric Acid SCHEMBL30006002 0.77 KMT2A (0.64) KMT2AMEN1HSD17B10TSHRL3MBTL1
Hydrochloric Acid SCHEMBL30004917 0.77 KMT2A (0.64) KMT2AMEN1HSD17B10TSHRL3MBTL1
SCHEMBL29686594 0.77 SMN1; SMN2 (0.58) KMT2AMEN1HSD17B10TSHRL3MBTL1
SCHEMBL6176903 0.74 TRPV1 (0.43) HSD17B10TRPV1CSNK1A1TYRO3DYRK1B
SCHEMBL3820615 0.73 KDM4E (0.65) TSHRCSNK1A1TYRO3DYRK1BL3MBTL1
SCHEMBL6178956 0.72 ALDH1A1 (0.43) KMT2AMEN1HSD17B10CSNK1A1TYRO3
SCHEMBL6174571 0.72 MAPT (0.55) CSNK1A1TYRO3DYRK1BALDH1A1BCAT2
SCHEMBL6175956 0.71 TRPV1 (0.47) HSD17B10TRPV1CSNK1A1TYRO3DYRK1B

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
EP-1575918-A2 SUBSTITUTED BIARYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2005-09-21 EP claimed
WO-2004056774-A2 SUBSTITUTED BIPHENYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-07-08 WO claimed