SCHEMBL18833873

SCHEMBL18833873

CNc1c(NCc2ccc(Cl)cc2)c(=O)n(C)c(=O)n1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.49
▸ TP53 P04637 3/20 0.49
▸ ALDH1A1 P00352 7/20 0.47
▸ PKM P14618 2/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ HTT P42858 4/20 0.46
▸ LMNA P02545 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ STAT6 P42226 1/20 0.45
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 4/20 0.44
▸ POLB P06746 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ TRPA1 O75762 1/20 0.42

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
SCHEMBL18834584 0.76 TRPC5 (0.50) MAPTTP53
SCHEMBL19375348 0.73 TRPC5 (0.47) MAPTALDH1A1PKMHIF1AGAA
SCHEMBL19375320 0.73 ALDH1A1 (0.39) MAPTTP53ALDH1A1PKMGAA
SCHEMBL19375583 0.73 MAPT (0.37) MAPTTP53ALDH1A1LMNAMEN1
SCHEMBL18834071 0.69 KMT2A (0.44) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL28015900 0.69 HPGD (0.52) MAPTTP53ALDH1A1GAAHTT
SCHEMBL16028263 0.68 HPGD (0.62) MAPTTP53ALDH1A1HTTLMNA
SCHEMBL3940708 0.67 HPGD (0.64) ALDH1A1PKMLMNAMEN1KMT2A
SCHEMBL18834990 0.67 ALDH1A1 (0.48) MAPTTP53ALDH1A1HTTLMNA
SCHEMBL19956915 0.66 CHEK1 (0.59) ALDH1A1LMNAMEN1KMT2ARAB9A

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-2970303-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-05-10 — — EP disclosed
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