SCHEMBL26339565

SCHEMBL26339565

CC(C)NC(=O)c1cncc2sccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
KDM4E B2RXH2 1/20 0.40
XDH P47989 4/20 0.38
GPR139 Q6DWJ6 6/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
VCAM1 P19320 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALOX5 P09917 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL28057447 0.80 KDM4E (0.41) HTTCCNCCDK8KDM4ECASP1
SCHEMBL20509797 0.78 ICAM1 (0.43) HTTCCNCCDK8KDM4EGPR139
SCHEMBL10857605 0.76 DHODH (0.41) HTTKDM4EXDHICAM1SELE
SCHEMBL30753169 0.74 MAPK1 (0.44) HTTCDK8KDM4EICAM1SELE
SCHEMBL26337401 0.74 MAPK1 (0.44) HTTCDK8KDM4EICAM1SELE
SCHEMBL20509990 0.71 ICAM1 (0.40) HTTKDM4ETSHRICAM1SELE
SCHEMBL162515 0.69 ALOX5 (0.44) HTTKDM4EALOX15TSHRCASP1
SCHEMBL25607337 0.69 NAMPT (0.48) HTTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL23984472 0.68 HDAC3 (0.66) HTTKDM4EALOX15TSHRCASP1
SCHEMBL19759423 0.67 ICAM1 (0.45) HTTKDM4EGPR139ICAM1SELE

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-4249480-A1 DIPHENYLPYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Northwest A&F University (CN) 2023-09-27 EP disclosed