SCHEMBL2861607

SCHEMBL2861607

CC(C)(C)c1ccc(NC(=O)Oc2cnn(-c3ncccn3)c2C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.42
P2RY1 P47900 3/20 0.40
P2RY14 Q15391 1/20 0.39
NAMPT P43490 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL2862979 0.89 TRPV1 (0.44) TRPV1P2RY1P2RY14SMN1; SMN2
SCHEMBL2848538 0.82 MAPT (0.45) TRPV1SMN1; SMN2
SCHEMBL2856974 0.82 MAPT (0.39) TRPV1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL2857337 0.81 KMT2A (0.43) P2RY1MEN1KMT2AL3MBTL1
SCHEMBL2855496 0.81 KDM4E (0.46) MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL2854592 0.79 MEN1 (0.40) MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL2856976 0.78 MAPT (0.52) TRPV1SMN1; SMN2
SCHEMBL2854678 0.77 ATR (0.40) P2RY1P2RY14NAMPT
SCHEMBL2853241 0.77 SMN1; SMN2 (0.41) MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL2850388 0.77 LMNA (0.35) KMT2ASMN1; SMN2

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 1 patent. 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