SCHEMBL9416337

SCHEMBL9416337

Cc1nn(C)c(Sc2ccc(Cl)cc2Cl)c1N(C=O)c1ncccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 6/20 0.36
ICAM1 P05362 6/20 0.36
ITGAL P20701 6/20 0.36
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NR2F2 P24468 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
POLB P06746 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
CYP2C19 P33261 1/20 0.33
NOTUM Q6P988 1/20 0.33
TNKS O95271 1/20 0.32
CRHR1 P34998 1/20 0.31

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
SCHEMBL9416364 0.77 SMN1; SMN2 (0.48) ITGB2ICAM1ITGALMAPTALDH1A1
SCHEMBL9416345 0.74 PIK3CG (0.36) ITGB2ICAM1ITGALMAPTALDH1A1
SCHEMBL9416348 0.74 HTT (0.38) ITGB2ICAM1ITGALMAPTALDH1A1
SCHEMBL9416342 0.73 TSHR (0.41) ITGB2ICAM1ITGALMAPTALDH1A1
SCHEMBL9416351 0.72 AURKA (0.38) ITGB2ICAM1ITGALMAPTALDH1A1
SCHEMBL9416332 0.71 ITGB2 (0.46) ITGB2ICAM1ITGALMAPTALDH1A1
SCHEMBL9416361 0.71 ALDH1A1 (0.38) ITGB2ICAM1ITGALMAPTALDH1A1
SCHEMBL9416349 0.69 CYP3A4 (0.37) ITGB2ICAM1ITGALMAPTALDH1A1
SCHEMBL9416343 0.69 MAPT (0.59) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9416357 0.68 LMNA (0.35) ITGB2ICAM1ITGALMAPTALDH1A1

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