SCHEMBL31429932

SCHEMBL31429932

O=C(O)Nc1ccc(F)c(F)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.45
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ PKM P14618 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MAP2K1 Q02750 2/20 0.39
▸ MAP2K2 P36507 1/20 0.39
▸ EPHX2 P34913 3/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ TAS1R2 Q8TE23 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ FABP3 P05413 1/20 0.37
▸ FABP4 P15090 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CES2 O00748 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 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
SCHEMBL2097325 0.82 ALDH1A1 (0.62) ALDH1A1PKMRXFP1EPHX2TAS1R3
SCHEMBL7391248 0.77 CYP17A1 (0.43) ALDH1A1MEN1KMT2AMAPK1RXFP1
SCHEMBL365563 0.77 CES2 (0.47) ALDH1A1MEN1KMT2AMAP2K1MAP2K2
SCHEMBL31258574 0.77 CES2 (0.47) ALDH1A1MEN1KMT2AMAP2K1MAP2K2
SCHEMBL20780583 0.74 MEN1 (0.42) MEN1KMT2AMAPK1SMN1; SMN2CES2
SCHEMBL15300145 0.73 ALDH1A1 (0.45) ALDH1A1MEN1KMT2APKMRXFP1
SCHEMBL2089517 0.72 KMT2A (0.52) ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL7688991 0.71 MAP2K1 (0.39) MEN1KMT2APKMRXFP1MAP2K1
SCHEMBL17337217 0.71 CA1 (0.50) ALDH1A1MEN1KMT2APOLBCES2
SCHEMBL3308958 0.71 CES2 (0.52) ALDH1A1MAP2K1MAP2K2SMN1; SMN2CES2

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-119462665-A 2-Fluoro-3-fatty amine tryptanthrin derivative, preparation method and application thereof 兴义民族师范学院 2025-02-18 — — CN disclosed
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