SCHEMBL6687644

SCHEMBL6687644

O=C(C=Cc1ccc(OC(F)(F)F)cc1)c1cn(-c2ccc(F)cc2)nc1-c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 4/20 0.43
HTT P42858 3/20 0.43
EGFR P00533 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43

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
SCHEMBL6692627 0.93 MAPK1 (0.48) MAPK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6689603 0.92 MAPK1 (0.48) MAPK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6683009 0.91 MAPK1 (0.52) MAPK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6686093 0.89 MAPK1 (0.52) MAPK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6678023 0.88 MAPT (0.47) MAPK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6687978 0.88 MAPT (0.47) MAPK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6684426 0.87 MAPT (0.50) MAPK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6689377 0.87 MAPT (0.50) MAPK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6688949 0.84 MAPK1 (0.49) MAPK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6687647 0.84 MAPT (0.54) SMN1; SMN2MAPTALDH1A1HTTKDM4E

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
WO-2004043951-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS CAREX S.A. (FR) 2004-05-27 WO disclosed