SCHEMBL29635362

SCHEMBL29635362

COc1nc(-c2cccnc2)nc(F)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
POLB P06746 2/20 0.41
SQOR Q9Y6N5 1/20 0.41
CYP17A1 P05093 4/20 0.41
CYP11B2 P19099 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL30151287 1.00 MAPT (0.46) MAPTALDH1A1NPSR1GAAMEN1
SCHEMBL22042714 1.00 MAPT (0.46) MAPTALDH1A1NPSR1GAAMEN1
SCHEMBL30151269 0.92 MAPT (0.50) MAPTALDH1A1NPSR1GAAMEN1
SCHEMBL11036785 0.84 NPC1 (0.47) MAPTNPSR1GAAMEN1KMT2A
SCHEMBL30151323 0.84 MAPT (0.44) MAPTALDH1A1NPSR1GAAMEN1
SCHEMBL22042751 0.83 S1PR1 (0.38) MAPTKMT2ACYP11B2S1PR1
SCHEMBL22042745 0.83 CYP1A1 (0.32) MAPTCYP17A1CYP11B2CYP11B1
SCHEMBL22042759 0.83 MAPT (0.49) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL29635359 0.83 CYP1A1 (0.32) MAPTCYP17A1CYP11B2CYP11B1
SCHEMBL30151244 0.83 MAPT (0.49) MAPTMEN1KMT2ARAB9ANPC1

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
CN-112739689-B Fluorine-containing pyrimidine compound and method for producing same 优迈特株式会社 2022-06-03 CN disclosed