SCHEMBL2850160

SCHEMBL2850160

O=C(c1cnn(-c2ccccn2)c1C(F)(F)F)N(Cc1ccccn1)Cc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 2/20 0.40
GUCY1A1 Q02108 2/20 0.39
GUCY1B1 Q02153 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.37
TSHR P16473 2/20 0.36
MALT1 Q9UDY8 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FPR1 P21462 1/20 0.36

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
SCHEMBL2854046 0.90 MAPT (0.44) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2855568 0.89 KEAP1 (0.42) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2860433 0.85 MAPT (0.48) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2855562 0.83 MAPT (0.46) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL10366979 0.82 KEAP1 (0.53) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL1335647 0.80 MAPT (0.68) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL29419571 0.80 MAPT (0.68) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL31684401 0.78 MAPT (0.51) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL30147333 0.78 MAPT (0.51) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL10364566 0.75 KDM4E (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