SCHEMBL12438632

SCHEMBL12438632

CC(C)(Oc1ccc(Br)cc1)C(=O)NCC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ PPARA Q07869 6/20 0.41
▸ PPARD Q03181 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL3237160 0.78 MAPT (0.50) MAPTALDH1A1POLBSMN1; SMN2USP2
SCHEMBL1811683 0.73 KMT2A (0.54) MAPTALDH1A1SMN1; SMN2USP2PPARA
SCHEMBL1811163 0.72 PPARA (0.67) MAPTALDH1A1POLBPPARAPPARD
SCHEMBL15912487 0.72 KMT2A (0.48) MAPTALDH1A1SMN1; SMN2PPARAPPARD
SCHEMBL15718379 0.71 MGLL (0.42) MAPTALDH1A1POLBSMN1; SMN2PPARA
SCHEMBL3573347 0.71 PPARA (0.50) MAPTALDH1A1SMN1; SMN2USP2PPARA
SCHEMBL3233909 0.71 KMT2A (0.47) MAPTSMN1; SMN2PPARAPPARDMEN1
SCHEMBL21198695 0.69 OGG1 (0.55) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL1154731 0.69 PPARA (0.71) MAPTALDH1A1SMN1; SMN2PPARAPPARD
SCHEMBL28574004 0.69 EPHX2 (0.52) MAPTALDH1A1POLBSMN1; SMN2PPARA

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-2229396-B1 SPIROINDOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-10 — — EP disclosed
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