SCHEMBL9416401

SCHEMBL9416401

Cn1nc(Cl)c(O)c1Sc1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
ITGB2 P05107 5/20 0.41
ICAM1 P05362 5/20 0.41
ITGAL P20701 5/20 0.41
MAPK14 Q16539 2/20 0.39
MAPT P10636 5/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RHEB Q15382 1/20 0.37
POLB P06746 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
HSP90AA1 P07900 2/20 0.35
LMNA P02545 2/20 0.35
USP7 Q93009 2/20 0.35
GAA P10253 1/20 0.35
CYP3A4 P08684 2/20 0.35
HPGD P15428 2/20 0.35
ALOX15 P16050 2/20 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
SCHEMBL9416336 0.82 ITGB2 (0.47) NOTUMITGB2ICAM1ITGALMAPK14
SCHEMBL9416356 0.81 ITGB2 (0.37) NOTUMITGB2ICAM1ITGALMAPK14
SCHEMBL9416360 0.78 ALDH1A1 (0.43) ITGB2ICAM1ITGALMAPTALDH1A1
SCHEMBL9416333 0.77 PKM (0.45) NOTUMITGB2ICAM1ITGALMAPT
SCHEMBL9416363 0.76 NOTUM (0.37) NOTUMITGB2ICAM1ITGALMAPK14
SCHEMBL9416332 0.75 ITGB2 (0.46) NOTUMITGB2ICAM1ITGALMAPK14
SCHEMBL9416357 0.74 LMNA (0.35) NOTUMITGB2ICAM1ITGALMAPK14
SCHEMBL9416364 0.73 SMN1; SMN2 (0.48) NOTUMITGB2ICAM1ITGALMAPT
SCHEMBL9416338 0.72 AURKA (0.36) ITGB2ICAM1ITGALMAPTALDH1A1
SCHEMBL9416344 0.71 HTT (0.39) NOTUMITGB2ICAM1ITGALMAPT

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-0627423-A1 SUBSTITUTED PYRAZOLE DERIVATIVE AND AGROHORTICULTURAL BACTERICIDE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1994-12-07 EP disclosed