SCHEMBL19684405

SCHEMBL19684405

Nc1ccc(-n2nccc2C(=O)NNc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.45
AHSA1 O95433 1/20 0.42
IKBKB O14920 1/20 0.40
GAA P10253 1/20 0.40
AHR P35869 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CLK1 P49759 1/20 0.40
POLB P06746 1/20 0.40
KDR P35968 1/20 0.39
RXFP2 Q8WXD0 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL19640095 0.87 ELANE (0.49) AHSA1IKBKBKMT2AMAPTMEN1
SCHEMBL3241127 0.70 PLA2G10 (0.54) PTGS1KMT2AMAPTMEN1NPC1
SCHEMBL2857377 0.70 CCR1 (0.64) GAAKMT2AMEN1
SCHEMBL19639775 0.69 RXFP1 (0.47) MAPTKDRRXFP1
SCHEMBL11798167 0.69 KIF11 (0.61) PTGS1GAAKMT2AMAPTMEN1
SCHEMBL10467154 0.69 KMT2A (0.53) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL20984529 0.69 MAPT (0.58) GAAKMT2AMAPTMEN1ALDH1A1
SCHEMBL28871752 0.69 TLR7 (0.70) PTGS1KMT2AMAPTMEN1ALDH1A1
SCHEMBL28020270 0.69 KCNK3 (0.65) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL19640079 0.68 ELANE (0.47) GAAMAPTLMNANPC1RXFP1

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
WO-2017207432-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2017-12-07 WO disclosed