SCHEMBL21089400

SCHEMBL21089400

CC(C)CONc1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ATM Q13315 2/20 0.37
▸ HPGD P15428 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ HTR3E A5X5Y0 1/20 0.33
▸ HTR3B O95264 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33

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
SCHEMBL28378687 0.79 MAPT (0.45) ANPEPHPGDALDH1A1MAPTGAA
SCHEMBL21089025 0.76 KMT2A (0.37) L3MBTL1HPGDALDH1A1MAPTKMT2A
SCHEMBL2255462 0.72 ALDH1A1 (0.50) L3MBTL1ATMHPGDALDH1A1MAPT
SCHEMBL1188008 0.71 L3MBTL1 (0.42) L3MBTL1HPGDALDH1A1MAPTKMT2A
SCHEMBL28607126 0.71 IDO1 (0.49) ANPEPL3MBTL1ATMALDH1A1MAPT
SCHEMBL20960317 0.70 ALDH1A1 (0.46) HPGDALDH1A1KMT2AGAASMN1; SMN2
SCHEMBL15325740 0.68 ANPEP (0.49) ANPEPL3MBTL1ATMALDH1A1MAPT
SCHEMBL9908238 0.67 TDP1 (0.46) ANPEPL3MBTL1ATMHPGDALDH1A1
SCHEMBL6468101 0.67 KMT2A (0.59) L3MBTL1ATMHPGDALDH1A1MAPT
SCHEMBL29671577 0.67 KMT2A (0.59) L3MBTL1ATMHPGDALDH1A1MAPT

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-3495359-A1 FLAP MODULATORS Janssen Pharmaceutica NV (BE) 2019-06-12 — — EP disclosed
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