SCHEMBL19132607

SCHEMBL19132607

CC(C)COc1cccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(N(C)C)ccc4[nH]3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.61
▸ LMNA P02545 2/20 0.51
▸ TP53 P04637 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ NR1H4 Q96RI1 1/20 0.49
▸ GAA P10253 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46

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
SCHEMBL19132331 0.91 MAPT (0.56) MAPTLMNATP53RXFP1MEN1
SCHEMBL19132310 0.89 MAPT (0.54) MAPTLMNATP53RXFP1MEN1
SCHEMBL19916692 0.88 MAPT (0.56) MAPTLMNATP53RXFP1MEN1
SCHEMBL12481925 0.87 MAPT (0.65) MAPTLMNATP53MEN1HTT
SCHEMBL15424153 0.87 MAPT (0.59) MAPTLMNATP53RXFP1MEN1
SCHEMBL12480937 0.85 MAPT (0.56) MAPTLMNAMEN1HTTKMT2A
SCHEMBL19685586 0.85 MAPT (0.53) MAPTLMNATP53RXFP1MEN1
SCHEMBL12481161 0.84 MAPT (0.54) MAPTLMNAMEN1HTTKMT2A
SCHEMBL15424141 0.84 MAPT (0.60) MAPTLMNATP53RXFP1MEN1
SCHEMBL12480897 0.84 MAPT (0.60) MAPTLMNATP53RXFP1MEN1

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
US-9708299-B2 Hedgehog antagonists having zinc binding moieties GENENTECH, INC. (US) 2017-07-18 — — US disclosed
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