SCHEMBL31599495

SCHEMBL31599495

COc1ncc(C(C)=O)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MGLL Q99685 1/20 0.38
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
VNN1 O95497 1/20 0.36
MAOB P27338 2/20 0.36
HDAC1 Q13547 3/20 0.36
MAOA P21397 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
NNMT P40261 1/20 0.35

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
SCHEMBL17173718 1.00 PIK3CA (0.40) PIK3CALMNAMAPK1HTTRAB9A
SCHEMBL1058736 0.86 MAPK1 (0.50) PIK3CALMNAMAPK1HTTRAB9A
SCHEMBL30151852 0.84 NNMT (0.49) PIK3CACYP11B1CYP11B2NNMT
SCHEMBL29918163 0.84 MAPK1 (0.46) PIK3CALMNAMAPK1RAB9ASMN1; SMN2
SCHEMBL1063745 0.84 MAPK1 (0.46) PIK3CALMNAMAPK1RAB9ASMN1; SMN2
SCHEMBL30820842 0.82 PIK3CA (0.38) PIK3CALMNAMAPK1HTTRAB9A
SCHEMBL27248274 0.82 PIK3CA (0.38) PIK3CALMNAMAPK1HTTRAB9A
SCHEMBL23166438 0.81 HDAC1 (0.51) PIK3CAHDAC1
SCHEMBL14818719 0.80 LMNA (0.44) LMNAMAPK1HTTSMN1; SMN2CYP11B1
SCHEMBL2712711 0.79 L3MBTL1 (0.43) MAPK1MAOB

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-120077035-A As CX32,4, 6-Trisubstituted 1,3, 5-triazines as modulators of CR1 阿斯利康(瑞典)有限公司 2025-05-30 CN disclosed