SCHEMBL9416356

SCHEMBL9416356

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 6/20 0.37
ICAM1 P05362 6/20 0.37
ITGAL P20701 6/20 0.37
NOTUM Q6P988 1/20 0.36
CNR2 P34972 1/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK14 Q16539 1/20 0.34
POLB P06746 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
USP7 Q93009 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
PTPN11 Q06124 1/20 0.32
RHEB Q15382 1/20 0.32
SRC P12931 1/20 0.32

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
SCHEMBL9416401 0.81 NOTUM (0.41) ITGB2ICAM1ITGALNOTUMMAPT
SCHEMBL9416336 0.78 ITGB2 (0.47) ITGB2ICAM1ITGALNOTUMMAPT
SCHEMBL9416360 0.73 ALDH1A1 (0.43) ITGB2ICAM1ITGALMAPTALDH1A1
SCHEMBL9416333 0.73 PKM (0.45) ITGB2ICAM1ITGALNOTUMMAPT
SCHEMBL9416363 0.72 NOTUM (0.37) ITGB2ICAM1ITGALNOTUMMAPT
SCHEMBL9416332 0.71 ITGB2 (0.46) ITGB2ICAM1ITGALNOTUMMAPT
SCHEMBL9416357 0.70 LMNA (0.35) ITGB2ICAM1ITGALNOTUMMAPT
SCHEMBL9416364 0.69 SMN1; SMN2 (0.48) ITGB2ICAM1ITGALNOTUMMAPT
SCHEMBL9416338 0.68 AURKA (0.36) ITGB2ICAM1ITGALMAPTALDH1A1
SCHEMBL9416344 0.68 HTT (0.39) ITGB2ICAM1ITGALNOTUMMAPT

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