SCHEMBL2640845

SCHEMBL2640845

Cc1cc(-c2nc(-c3ccc(S(F)(F)(F)(F)F)cc3)no2)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.49
TP53 P04637 8/20 0.49
POLB P06746 1/20 0.47
ALOX5AP P20292 2/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
S1PR1 P21453 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2640808 0.82 MAPT (0.52) MAPTTP53POLBALOX5APNPC1
SCHEMBL2640759 0.82 LMNA (0.59) MAPTTP53POLBNPC1RAB9A
SCHEMBL2641004 0.81 NPC1 (0.52) MAPTTP53POLBNPC1RAB9A
SCHEMBL2360618 0.80 NPC1 (0.65) MAPTTP53POLBNPC1RAB9A
SCHEMBL2360887 0.80 MAPT (0.63) MAPTTP53POLBALOX5APNPC1
SCHEMBL2360362 0.80 MAPT (0.71) MAPTTP53POLBNPC1RAB9A
SCHEMBL2640833 0.79 MAPT (0.45) MAPTTP53POLBALOX5APNPC1
SCHEMBL13362298 0.79 MAPT (0.56) MAPTTP53POLBALOX5APNPC1
SCHEMBL516209 0.79 NPC1 (0.50) MAPTTP53POLBNPC1RAB9A
SCHEMBL516677 0.79 MAPT (0.46) MAPTTP53POLBALOX5APNPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569309-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES Bayer Intellectual Property GmbH (DE) 2013-03-20 EP disclosed
WO-2011141325-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed
WO-2011141325-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed