SCHEMBL23907008

SCHEMBL23907008

Cc1ccc(-n2c(=O)c(Br)c(CSC(=N)N)n2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
IDO1 P14902 5/20 0.49
LMNA P02545 7/20 0.41
KMT2A Q03164 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.41
GPR55 Q9Y2T6 1/20 0.41
TAAR1 Q96RJ0 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NOS1 P29475 1/20 0.37
ATP1A1 P05023 1/20 0.35
ATP1B1 P05026 1/20 0.35
ATP1A3 P13637 1/20 0.35
ATP1B2 P14415 1/20 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
SCHEMBL23907005 0.88 MAPT (0.48) MAPTIDO1LMNAHTTTAAR1
SCHEMBL23907003 0.88 MAPT (0.61) MAPTIDO1LMNAKMT2ANPSR1
SCHEMBL23907019 0.87 MAPT (0.44) MAPTIDO1LMNAKMT2ANPSR1
SCHEMBL23907020 0.86 MAPT (0.54) MAPTIDO1LMNAKMT2ANPSR1
SCHEMBL23907022 0.86 MAPT (0.47) MAPTIDO1LMNAKMT2AMEN1
SCHEMBL23907021 0.85 IDO1 (0.51) MAPTIDO1LMNANPSR1ALDH1A1
SCHEMBL23907010 0.85 MAPT (0.46) MAPTLMNAKMT2ANPSR1HTT
SCHEMBL23907026 0.79 ALDH1A1 (0.40) MAPTLMNAKMT2ANPSR1HTT
SCHEMBL23918516 0.78 MAPT (0.48) MAPTIDO1LMNAKMT2AMEN1
SCHEMBL23907007 0.72 ALDH1A1 (0.46) MAPTLMNAKMT2ANPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3892734-B1 SCREENING METHODS AND THERAPEUTIC APPLICATIONS BASED ON BACTERIAL MOTILITY INHIBITION UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2024-08-28 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
EP-3892734-A1 SCREENING METHODS AND THERAPEUTIC APPLICATIONS BASED ON BACTERIAL MOTILITY INHIBITION Ludwig-Maximilians-Universität München (DE) 2021-10-13 EP disclosed