SCHEMBL23907019

SCHEMBL23907019

Cc1cc(C)cc(-n2c(=O)c(Br)c(CSC(=N)N)n2C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
IDO1 P14902 4/20 0.39
ATP1A1 P05023 1/20 0.38
ATP1B1 P05026 1/20 0.38
ATP1A3 P13637 1/20 0.38
ATP1B2 P14415 1/20 0.38
ATP1A2 P50993 1/20 0.38
ATP1B3 P54709 1/20 0.38
FXYD2 P54710 1/20 0.38
ATP1A4 Q13733 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
SLC11A2 P49281 1/20 0.37
KMT2A Q03164 4/20 0.36
GPR55 Q9Y2T6 3/20 0.36
PKM P14618 2/20 0.36
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MEN1 O00255 2/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 5/20 0.35

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
SCHEMBL23907008 0.87 MAPT (0.49) MAPTIDO1ATP1A1ATP1B1ATP1A3
SCHEMBL23907003 0.83 MAPT (0.61) MAPTIDO1TAAR1KMT2AGPR55
SCHEMBL23907005 0.81 MAPT (0.48) MAPTIDO1TAAR1LMNAHTT
SCHEMBL23907037 0.79 MAPT (0.34) MAPTLMNA
SCHEMBL23907020 0.79 MAPT (0.54) MAPTIDO1TAAR1KMT2AGPR55
SCHEMBL23907022 0.79 MAPT (0.47) MAPTIDO1ATP1A1ATP1B1ATP1A3
SCHEMBL23907021 0.78 IDO1 (0.51) MAPTIDO1ATP1A1ATP1B1ATP1A3
SCHEMBL23918516 0.73 MAPT (0.48) MAPTIDO1KMT2ALMNAMEN1
SCHEMBL23907013 0.72 BCHE (0.39) MAPTKMT2ALMNAMEN1HTT
SCHEMBL23907010 0.71 MAPT (0.46) MAPTKMT2ALMNANPSR1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3892734-A1 SCREENING METHODS AND THERAPEUTIC APPLICATIONS BASED ON BACTERIAL MOTILITY INHIBITION Ludwig-Maximilians-Universität München (DE) 2021-10-13 EP disclosed
EP-3892734-A1 SCREENING METHODS AND THERAPEUTIC APPLICATIONS BASED ON BACTERIAL MOTILITY INHIBITION Ludwig-Maximilians-Universität München (DE) 2021-10-13 EP disclosed