SCHEMBL2860433

SCHEMBL2860433

O=C(c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)N(Cc1ccccn1)Cc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPK1 P28482 2/20 0.44
HSP90AA1 P07900 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GPR6 P46095 1/20 0.44
ACHE P22303 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CCR1 P32246 2/20 0.39
TRPC3 Q13507 1/20 0.39
PTPN1 P18031 1/20 0.38

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
SCHEMBL2855562 0.87 MAPT (0.46) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2854046 0.86 MAPT (0.44) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2850160 0.85 MAPT (0.43) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2854456 0.84 MEN1 (0.47) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2855568 0.83 KEAP1 (0.42) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2858117 0.83 MAPT (0.41) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2853095 0.82 ALDH1A1 (0.58) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL10366449 0.80 MAPT (0.53) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2854667 0.80 ALDH1A1 (0.55) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2853001 0.78 TACR3 (0.52) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed