SCHEMBL25797141

SCHEMBL25797141

C=C(CC)NC(=O)c1cc(C(F)(F)F)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ANO1 Q5XXA6 4/20 0.42
▸ CBLB Q13191 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.40
▸ ALKBH2 Q6NS38 1/20 0.40
▸ ALKBH5 Q6P6C2 1/20 0.40
▸ ALKBH3 Q96Q83 1/20 0.40
▸ FTO Q9C0B1 1/20 0.40
▸ ACKR3 P25106 1/20 0.40
▸ PYGL P06737 1/20 0.40
▸ PYGM P11217 1/20 0.40
▸ TRPA1 O75762 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ KDR P35968 2/20 0.39
▸ PLK4 O00444 1/20 0.39

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
SCHEMBL21666351 0.80 DDR1 (0.43) DDR1ALDH1A1GAAL3MBTL1ANO1
SCHEMBL16093766 0.79 ALDH1A1 (0.52) DDR1ALDH1A1GAAL3MBTL1ANO1
SCHEMBL18422426 0.79 KDR (0.54) DDR1ALDH1A1GAAL3MBTL1POLB
SCHEMBL30595870 0.79 KDR (0.54) DDR1ALDH1A1GAAL3MBTL1POLB
SCHEMBL25898677 0.79 ALDH1A1 (0.48) DDR1ALDH1A1GAAL3MBTL1ANO1
SCHEMBL25807049 0.77 SMYD3 (0.43) ALDH1A1L3MBTL1ANO1PYGLPYGM
SCHEMBL25804854 0.75 LRRK2 (0.43) ANO1PYGLPYGM
SCHEMBL25799171 0.75 LOXL2 (0.40) ANO1LOXL2
SCHEMBL25199807 0.74 DDR1 (0.51) DDR1ANO1TLR7ALKBH2ALKBH5
SCHEMBL16098050 0.74 CFTR (0.55) DDR1ALDH1A1GAAL3MBTL1POLB

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
EP-3452456-B1 BICYCLIC MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2023-07-05 — — EP disclosed
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