SCHEMBL19861782

SCHEMBL19861782

FC(F)c1nnc2ccccn12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPK14 Q16539 1/20 0.48
HSD17B10 Q99714 4/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
HPGD P15428 4/20 0.42
NPC1 O15118 3/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
SCN5A Q14524 1/20 0.42
LMNA P02545 2/20 0.40
RAB9A P51151 5/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL2600740 0.80 KDM4E (0.50) KDM4EALDH1A1MAPK14HSD17B10KMT2A
SCHEMBL21237806 0.79 KDM4E (0.50) KDM4EALDH1A1HSD17B10KMT2ASMN1; SMN2
SCHEMBL20053799 0.78 KDM4E (0.49) KDM4EALDH1A1HSD17B10KMT2ASMN1; SMN2
SCHEMBL8720568 0.77 KDM4E (0.47) KDM4EALDH1A1MAPK14HSD17B10KMT2A
SCHEMBL8720509 0.77 LMNA (0.51) KDM4EALDH1A1MAPK14HSD17B10KMT2A
SCHEMBL12797606 0.74 KDM4E (0.49) KDM4EALDH1A1MAPK14HSD17B10KMT2A
SCHEMBL20858133 0.74 KDM4E (0.45) KDM4EALDH1A1HSD17B10KMT2ASMN1; SMN2
SCHEMBL16402570 0.72 KDM4E (0.56) KDM4EALDH1A1HSD17B10KMT2ASMN1; SMN2
SCHEMBL24655005 0.72 MAPK14 (0.40) KDM4EALDH1A1MAPK14HSD17B10SMN1; SMN2
SCHEMBL19297200 0.72 KDM4E (0.48) KDM4EALDH1A1HSD17B10KMT2ASMN1; 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
US-9890166-B2 Imidazopyrrolidine derivatives and their use in the treatment of disease NOVARTIS AG (CH) 2018-02-13 US disclosed