SCHEMBL23730964

SCHEMBL23730964

CCn1c(CSc2nc3cc([S+]([O-])N4CCCCC4)ccc3o2)nc2c1c(=O)[nH]c(=O)n2Cc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.51
▸ BRD2 P25440 2/20 0.51
▸ BRD3 Q15059 2/20 0.51
▸ TPH1 P17752 12/20 0.41
▸ TPH2 Q8IWU9 12/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ BRDT Q58F21 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36

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
SCHEMBL23731023 0.89 BRD4 (0.55) BRD4BRD2BRD3TPH1TPH2
SCHEMBL21389515 0.85 BRD4 (0.51) BRD4BRD2BRD3TPH1TPH2
SCHEMBL19090314 0.83 BRD4 (0.56) BRD4BRD2BRD3TPH1TPH2
SCHEMBL23731052 0.83 BRD4 (0.57) BRD4BRD2BRD3TPH1TPH2
SCHEMBL21389556 0.81 BRD4 (0.54) BRD4BRD2BRD3TPH1TPH2
SCHEMBL21389530 0.81 BRD4 (0.56) BRD4BRD2BRD3TPH1TPH2
SCHEMBL21389588 0.81 BRD4 (0.56) BRD4BRD2BRD3TPH1TPH2
SCHEMBL21389535 0.81 BRD4 (0.51) BRD4BRD2BRD3TPH1TPH2
SCHEMBL19090308 0.80 TSHR (0.47) BRD4BRD2BRD3TPH1TPH2
SCHEMBL21389508 0.80 MAPT (0.55) BRD4BRD2BRD3TPH1TPH2

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-3397640-B1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS INST NAT SANTE RECH MED (FR) 2021-08-04 — — EP disclosed
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