SCHEMBL4335002

SCHEMBL4335002

CCC[C@@H](CNC(=O)C(F)(F)F)NC(=N)N

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TAS1R3 Q7RTX0 4/20 0.33
TAS1R1 Q7RTX1 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA3 P07451 2/20 0.31
CA5A P35218 2/20 0.31
CA5B Q9Y2D0 2/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL4324192 1.00 EPHX1 (0.39) EPHX1ALDH1A1POLBSMN1; SMN2TAS1R3
SCHEMBL4334976 0.88 EPHX1 (0.38) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL21387098 0.74 TAS1R3 (0.38) ALDH1A1TAS1R3TAS1R1
SCHEMBL4334897 0.73 HDAC6 (0.34) MEN1KMT2A
Trifluoroacetic Acid SCHEMBL1134627 0.73 SCNN1A (0.41) ALDH1A1SMN1; SMN2
SCHEMBL27547888 0.73 TAS1R3 (0.44) EPHX1ALDH1A1POLBSMN1; SMN2TAS1R3
SCHEMBL23566512 0.70 TAS1R3 (0.38) TAS1R3TAS1R1CA12CA2CA9
SCHEMBL23566513 0.70 TAS1R3 (0.38) TAS1R3TAS1R1CA12CA2CA9
SCHEMBL23566651 0.70 TAS1R3 (0.38) TAS1R3TAS1R1CA12CA2CA9
SCHEMBL14191546 0.70 DNM1 (0.39) EPHX1ALDH1A1POLBSMN1; SMN2TAS1R3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664228-B2 3,5-diamino-6-chloro-pyrazine-2-carboxylic acid derivatives and their use as epithelial sodium channel blockers for the treatment of airway diseases NOVARTIS AG (CH) 2014-03-04 US disclosed
EP-2285785-B1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF ARWAY DISEASES NOVARTIS AG (CH) 2012-09-05 EP disclosed
WO-2009138378-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF ARWAY DISEASES NOVARTIS AG (CH) 2009-11-19 WO disclosed