SCHEMBL2854046

SCHEMBL2854046

O=C(c1cnn(-c2ncccn2)c1C(F)(F)F)N(Cc1ccccn1)Cc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MLYCD O95822 1/20 0.38
RAB9A P51151 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
TSHR P16473 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KEAP1 Q14145 3/20 0.37
NFE2L2 Q16236 3/20 0.37
S1PR1 P21453 1/20 0.36
MALT1 Q9UDY8 1/20 0.35

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
SCHEMBL2850160 0.90 MAPT (0.43) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2860433 0.86 MAPT (0.48) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2855562 0.84 MAPT (0.46) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2294498 0.75 MAPT (0.66) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL30147290 0.73 MAPT (0.49) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL31007090 0.73 MAPT (0.49) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2940007 0.72 POLQ (0.41) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL10366979 0.71 KEAP1 (0.53) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2854040 0.70 KDM4E (0.48) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2854456 0.70 MEN1 (0.47) 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