SCHEMBL23918250

SCHEMBL23918250

CCSCc1c(Cl)c(=O)n(-c2ccccc2)n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.44
POLB P06746 2/20 0.42
GAA P10253 3/20 0.41
BCHE P06276 3/20 0.41
ALOX15 P16050 2/20 0.41
PTGS2 P35354 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 2/20 0.39
THRB P10828 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL4318567 0.83 FPR2 (0.54) FPR2POLBBCHEALOX15PTGS2
SCHEMBL4321221 0.79 BCHE (0.45) FPR2POLBGAABCHEALOX15
SCHEMBL4319898 0.77 BCHE (0.43) FPR2POLBGAABCHEALOX15
SCHEMBL29993 0.72 ALDH1A1 (0.64) POLBGAABCHEALOX15PTGS2
SCHEMBL4320070 0.71 ALDH1A1 (0.56) POLBGAAALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL28445202 0.70 ALDH1A1 (0.62) FPR2POLBGAABCHEALOX15
SCHEMBL9809088 0.70 FPR2 (0.47) FPR2POLBGAABCHEALOX15
SCHEMBL4332839 0.70 HTR1A (0.55) GAAALDH1A1
SCHEMBL4332295 0.69 SMN1; SMN2 (0.53) BCHEALDH1A1SMN1; SMN2
SCHEMBL8259595 0.69 FPR2 (0.41) FPR2GAAALDH1A1LMNAMEN1

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