SCHEMBL19590945

SCHEMBL19590945

Cc1cccc(NC(=O)c2ccccc2NC(=O)Cn2cnc3c2C(=O)N(C)C(O)N3C)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.46
▸ RAB9A P51151 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ NPC1 O15118 2/20 0.41
▸ BCHE P06276 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL22105261 0.80 PSEN1 (0.41) THRBRAB9ALMNAHTTNPC1
SCHEMBL19590937 0.78 ALDH1A1 (0.50) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19590972 0.77 MEN1 (0.47) THRBRAB9ALMNAMEN1KMT2A
SCHEMBL10114463 0.77 TSHR (0.67) THRBRAB9ALMNAHTTKMT2A
SCHEMBL19590943 0.74 GAA (0.45) LMNAALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL19590970 0.74 SMN1; SMN2 (0.44) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19626687 0.73 SMN1; SMN2 (0.42) THRBRAB9ALMNAHTTNPC1
SCHEMBL19590909 0.73 KMT2A (0.47) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL20290287 0.72 POLB (0.51) RAB9ALMNAHTTNPC1MEN1
SCHEMBL23416897 0.71 CYP1A2 (0.42) RAB9ALMNAHTTNPC1MEN1

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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