SCHEMBL17354449

SCHEMBL17354449

Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.68
▸ MAPT P10636 14/20 0.67
▸ ALDH1A1 P00352 7/20 0.67
▸ SMN1; SMN2 Q16637 5/20 0.67
▸ TP53 P04637 4/20 0.67
▸ KDM4E B2RXH2 3/20 0.67
▸ HPGD P15428 3/20 0.67
▸ KMT2A Q03164 5/20 0.64
▸ MEN1 O00255 4/20 0.64
▸ NPSR1 Q6W5P4 3/20 0.64
▸ LMNA P02545 1/20 0.64
▸ CYP1A2 P05177 2/20 0.62
▸ CYP3A4 P08684 2/20 0.62
▸ CYP2C19 P33261 2/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ HTT P42858 2/20 0.58
▸ GAA P10253 1/20 0.58
▸ GPR55 Q9Y2T6 1/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58

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
SCHEMBL2243367 0.82 SIRT1 (0.61) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL14615274 0.79 MAPT (0.80) THRBMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL14615293 0.78 MAPT (0.72) THRBMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL13679553 0.78 MAPT (0.71) THRBMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL28373647 0.77 NPC1 (0.69) MAPTSMN1; SMN2TP53KDM4EKMT2A
SCHEMBL14615276 0.77 MAPT (0.76) THRBMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL13679550 0.77 MAPT (0.70) THRBMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL4400767 0.77 MAPT (0.63) THRBMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL27202488 0.76 DDX3X (0.73) THRBMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL6260590 0.76 KMT2A (0.53) MAPTALDH1A1SMN1; SMN2TP53KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216180-B2 Pharmaceutical compositions and treatment of genetic diseases associated with nonsense mediated RNA decay NEW YORK UNIVERSITY (US) 2015-12-22 — — US disclosed
US-9216180-B2 Pharmaceutical compositions and treatment of genetic diseases associated with nonsense mediated RNA decay NEW YORK UNIVERSITY (US) 2015-12-22 — — US disclosed
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