SCHEMBL18106905

SCHEMBL18106905

O=C(O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1.c1ccc(C2CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 2/20 0.68
IDO1 P14902 1/20 0.62
DGAT1 O75907 3/20 0.54
SOAT1 P35610 1/20 0.54
MTOR P42345 1/20 0.49
DYRK1A Q13627 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
P2RY14 Q15391 1/20 0.48
PHGDH O43175 1/20 0.48
NPBWR1 P48145 1/20 0.47
CSNK1D P48730 1/20 0.46
CSNK1E P49674 1/20 0.46
KCNH2 Q12809 2/20 0.46
KDR P35968 1/20 0.45
TEK Q02763 1/20 0.45
SLC6A9 P48067 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
RPS6KA2 Q15349 1/20 0.43

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
SCHEMBL18106888 0.87 LPAR2 (0.57) LPAR2IDO1DGAT1SOAT1MTOR
SCHEMBL18106898 0.83 LPAR2 (0.66) LPAR2IDO1DGAT1SOAT1SMN1; SMN2
SCHEMBL18106906 0.82 SMN1; SMN2 (0.63) LPAR2IDO1SMN1; SMN2
SCHEMBL18106901 0.81 PIN1 (0.51) LPAR2CSNK1DKCNH2SMN1; SMN2RPS6KA2
SCHEMBL15944963 0.81 LPAR2 (1.00) LPAR2IDO1MTORDYRK1ADYRK1B
SCHEMBL18106893 0.81 TUBB4A (0.51) LPAR2KDRSMN1; SMN2
SCHEMBL15947345 0.78 LPAR2 (0.67) LPAR2IDO1DGAT1MTORDYRK1A
SCHEMBL18106907 0.77 NPC1 (0.60) MTORSMN1; SMN2
SCHEMBL15947325 0.77 LPAR2 (0.66) LPAR2IDO1DGAT1MTORDYRK1A
SCHEMBL18106896 0.77 NPC1 (0.60) LPAR2MTORSMN1; SMN2

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
EP-2742029-B1 N-(BENZIMIMDAZOL-2-YL)-CYCLOPROPANE CARBOXAMIDES AS LYSOPHOSPHATIDIC ACID ANTAGONISTS MERCK PATENT GMBH (DE) 2016-10-05 EP claimed