SCHEMBL19590966

SCHEMBL19590966

COc1ccc(NC(=O)Cn2cnc3c2C(=O)N(C)C(O)N3C)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.51
▸ MAPT P10636 5/20 0.51
▸ POLB P06746 4/20 0.51
▸ THRB P10828 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ GLA P06280 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ TP53 P04637 1/20 0.47

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
SCHEMBL20290287 0.85 POLB (0.51) ALDH1A1MAPTPOLBKDM4EGAA
SCHEMBL20029975 0.84 MEN1 (0.48) ALDH1A1MAPTPOLBTHRBL3MBTL1
SCHEMBL19997366 0.83 POLB (0.46) ALDH1A1MAPTPOLBMAPK1KDM4E
SCHEMBL19590972 0.82 MEN1 (0.47) ALDH1A1MAPTPOLBTHRBKDM4E
SCHEMBL22105260 0.79 KMT2A (0.46) ALDH1A1MAPTPOLBMAPK1KDM4E
SCHEMBL19590909 0.78 KMT2A (0.47) ALDH1A1MAPTL3MBTL1GAAKMT2A
SCHEMBL21935695 0.78 PORCN (0.46) TP53
SCHEMBL19590905 0.78 TRPA1 (0.41) ALDH1A1MAPTPOLBGAAKMT2A
SCHEMBL19590937 0.77 ALDH1A1 (0.50) ALDH1A1MAPTPOLBGAAKMT2A
SCHEMBL20030198 0.76 TRPA1 (0.56) ALDH1A1KDM4EKMT2A

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-9815838-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2017-11-14 — — US disclosed
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