SCHEMBL23918516

SCHEMBL23918516

Cc1c(CSC(=N)N)n(C)n(-c2ccccc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 3/20 0.47
ALDH1A1 P00352 4/20 0.47
ALOX15 P16050 2/20 0.47
BCHE P06276 1/20 0.47
PTGS2 P35354 1/20 0.47
KDM4E B2RXH2 4/20 0.46
IDO1 P14902 3/20 0.46
HPGD P15428 3/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
TP53 P04637 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL23907003 0.88 MAPT (0.61) MAPTSMN1; SMN2LMNAALDH1A1ALOX15
SCHEMBL23907020 0.81 MAPT (0.54) MAPTSMN1; SMN2LMNAALDH1A1ALOX15
SCHEMBL23907008 0.78 MAPT (0.49) MAPTSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL4326241 0.76 SMN1; SMN2 (0.55) SMN1; SMN2LMNAALDH1A1ALOX15BCHE
SCHEMBL23907005 0.75 MAPT (0.48) MAPTSMN1; SMN2LMNAALDH1A1IDO1
SCHEMBL23907019 0.73 MAPT (0.44) MAPTSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL23907022 0.73 MAPT (0.47) MAPTSMN1; SMN2LMNAALDH1A1PTGS2
SCHEMBL23907021 0.72 IDO1 (0.51) MAPTLMNAALDH1A1ALOX15IDO1
SCHEMBL2449608 0.70 ALOX15 (0.68) MAPTSMN1; SMN2LMNAALDH1A1ALOX15
SCHEMBL13913866 0.69 MAPT (0.53) MAPTSMN1; SMN2LMNAALDH1A1ALOX15

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