SCHEMBL28291985

SCHEMBL28291985

CCc1cccc(C(=O)c2cccc(CC)c2F)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KAT6A Q92794 2/20 0.51
▸ GABRA1 P14867 2/20 0.46
▸ GABRB2 P47870 2/20 0.46
▸ CLCN2 P51788 1/20 0.42
▸ CES2 O00748 1/20 0.42
▸ BCHE P06276 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ HTT P42858 3/20 0.38
▸ MRGPRX4 Q96LA9 2/20 0.38
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CDC25B P30305 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL4238088 0.86 KAT6A (0.54) KAT6AGABRA1GABRB2CLCN2MRGPRX4
SCHEMBL4876639 0.86 KAT6A (0.50) KAT6AGABRA1GABRB2CLCN2CES2
SCHEMBL10299401 0.84 KAT6A (0.49) KAT6AGABRA1GABRB2CLCN2CES2
SCHEMBL6216947 0.84 PARP1 (0.50) KAT6AGABRA1GABRB2CLCN2CES2
SCHEMBL16951653 0.83 KAT6A (0.48) KAT6AGABRA1GABRB2CLCN2CES2
SCHEMBL27570629 0.83 CES2 (0.42) KAT6ACES2BCHECES1MRGPRX4
Ammonia Solution, Strong SCHEMBL27338721 0.82 PARP1 (0.49) KAT6AGABRA1GABRB2CLCN2CES2
SCHEMBL4490600 0.82 KAT6A (0.51) KAT6AGABRA1GABRB2CLCN2CES2
SCHEMBL24529118 0.81 MRGPRX4 (0.51) KAT6ACLCN2HTTMRGPRX4MAPT
SCHEMBL19657225 0.81 KAT6A (0.47) KAT6AGABRA1GABRB2CLCN2CES2

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-104557661-B A kind of preparation method of catalysis of iodine amides compound synthesizing indoline 湖南大学 2019-04-19 — — CN disclosed
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