SCHEMBL28599809

SCHEMBL28599809

Nc1scc(-c2ccc(C(F)(F)F)cc2)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 7/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
ANO1 Q5XXA6 2/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
MAP4K4 O95819 1/20 0.45
CYP2C8 P10632 1/20 0.44
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.42
GRIN2C Q14957 2/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41

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
SCHEMBL2368735 0.85 GRIN2C (0.56) PRKCZALDH1A1HPGDMEN1LMNA
SCHEMBL12466271 0.83 ADORA1 (0.49) PRKCZALDH1A1HPGDMEN1LMNA
SCHEMBL9720150 0.83 ALDH1A1 (0.53) PRKCZALDH1A1HPGDMEN1LMNA
SCHEMBL2367950 0.83 PRKCZ (0.63) PRKCZALDH1A1HPGDMEN1LMNA
SCHEMBL13838083 0.82 PRKCZ (0.61) PRKCZALDH1A1HPGDMEN1LMNA
SCHEMBL8188234 0.81 KMT2A (0.65) PRKCZALDH1A1HPGDMEN1LMNA
SCHEMBL8196570 0.81 ALDH1A1 (0.62) PRKCZALDH1A1HPGDMEN1LMNA
SCHEMBL1799330 0.80 KMT2A (0.69) PRKCZALDH1A1HPGDMEN1LMNA
SCHEMBL6926065 0.80 MPL (0.50) PRKCZALDH1A1HPGDANO1HSD17B10
SCHEMBL8290362 0.80 PRKCZ (0.75) PRKCZALDH1A1HPGDMEN1KMT2A

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-108938625-B Application of 2-arylformamido thiophene-3-carboxylic acid derivative as ANO1 protein inhibitor and preparation method thereof 北京大学 2021-06-29 CN disclosed