SCHEMBL20101123

SCHEMBL20101123

NNc1nc2cc(C(F)(F)F)ncc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
MAPT P10636 6/20 0.46
ALDH1A1 P00352 5/20 0.46
LMNA P02545 4/20 0.46
TDP1 Q9NUW8 4/20 0.46
PKM P14618 3/20 0.46
IDO1 P14902 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALOX12 P18054 2/20 0.46
MAPK1 P28482 2/20 0.46
GFER P55789 1/20 0.46
GAA P10253 5/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
PIK3CA P42336 3/20 0.39
PIK3CG P48736 2/20 0.39
DYRK1A Q13627 2/20 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
SCHEMBL20101061 0.88 MEN1 (0.50) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL20101125 0.79 PIK3CD (0.58) KMT2AMAPTALDH1A1LMNAPKM
SCHEMBL2136351 0.76 DYRK1A (0.63) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL20101093 0.76 IDO1 (0.58) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL2116732 0.73 KDM4E (0.64) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL22833881 0.67 MAPT (0.75) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL29379319 0.67 MAPT (0.75) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL20101017 0.66 NPC1 (0.48) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL11831845 0.66 ALDH1A1 (0.58) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL19253768 0.66 PIK3CD (0.62) KMT2AMAPTALDH1A1LMNAPKM

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-2018081612-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ACTAVALON, INC. (US) 2018-05-03 WO disclosed