SCHEMBL28885151

SCHEMBL28885151

FC(F)(F)c1snc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.39
BACE1 P56817 1/20 0.38
CCNE2 O96020 4/20 0.38
CCNE1 P24864 4/20 0.38
CDK2 P24941 4/20 0.38
CDK4 P11802 3/20 0.38
CCND1 P24385 3/20 0.38
ELANE P08246 1/20 0.37
PKM P14618 1/20 0.37
TLR7 Q9NYK1 4/20 0.37
EPHX2 P34913 1/20 0.36
GPR3 P46089 1/20 0.36
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL15935239 0.79 ATM (0.37) GAAALDH1A1MAPTCCNE2CCNE1
SCHEMBL15833936 0.69 GPR3 (0.42) GAAALDH1A1MAPTRAB9AGPR3
SCHEMBL3805823 0.69 GPR3 (0.42) GAAALDH1A1MAPTRAB9AGPR3
SCHEMBL12799106 0.67 GPR3 (0.41) ALDH1A1MAPTRAB9ABACE1ELANE
SCHEMBL5571932 0.67 GPR3 (0.40) GAAALDH1A1MAPTRAB9AGPR3
SCHEMBL11877290 0.67 GPR3 (0.40) ADORA2AGAAALDH1A1MAPTRAB9A
SCHEMBL11085745 0.67 MAOA (0.44) GAAALDH1A1MAPTRAB9AGPR3
SCHEMBL4025561 0.67 KDM4E (0.45) ADORA2AGAAALDH1A1MAPTRAB9A
SCHEMBL28862918 0.64 GPR3 (0.33) GAAALDH1A1MAPTGPR3KDM4E
SCHEMBL18160956 0.64 ADORA2A (0.39) ADORA2AGAAALDH1A1MAPTRAB9A

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-115003666-A Pesticidally active fused bicyclic heteroaromatic amino compounds 先正达农作物保护股份公司 2022-09-02 CN disclosed