SCHEMBL2855562

SCHEMBL2855562

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MET P08581 1/20 0.39
AXL P30530 1/20 0.39
TEAD1 P28347 1/20 0.38
TEAD4 Q15561 1/20 0.38
TEAD2 Q15562 1/20 0.38
TEAD3 Q99594 1/20 0.38
TRPC1 P48995 1/20 0.38
TRPC3 Q13507 1/20 0.38
STIM1 Q13586 1/20 0.38
ORAI1 Q96D31 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
SCHEMBL2860433 0.87 MAPT (0.48) MAPTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL2854046 0.84 MAPT (0.44) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2850160 0.83 MAPT (0.43) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2855568 0.77 KEAP1 (0.42) MAPTPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2856196 0.75 MAPT (0.70) MAPTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL2855560 0.75 ALDH1A1 (0.49) MAPTPOLBSMN1; SMN2KMT2AALDH1A1
SCHEMBL2854456 0.72 MEN1 (0.47) MAPTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL2858117 0.71 MAPT (0.41) MAPTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL10365422 0.71 MAPT (0.67) MAPTPOLBSMN1; SMN2KMT2AALDH1A1
SCHEMBL2850244 0.70 MALT1 (0.51) 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