SCHEMBL5142653

SCHEMBL5142653

O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCc2[c]ncnc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
GBA1 P04062 1/20 0.41
SCN9A Q15858 1/20 0.41
PRCP P42785 1/20 0.40
AKR1C3 P42330 1/20 0.40
EPHX2 P34913 2/20 0.39
KDM2B Q8NHM5 1/20 0.39
LIPE Q05469 1/20 0.39

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
SCHEMBL5142775 0.89 KDM2B (0.43) MEN1KMT2ASCN9AAKR1C3KDM2B
SCHEMBL5141453 0.86 L3MBTL1 (0.42) MEN1KMT2AHDAC6
SCHEMBL5141474 0.85 HSD11B1 (0.45) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL5145792 0.85 LMNA (0.41) MEN1KMT2AKDM2B
SCHEMBL5142465 0.83 LMNA (0.40) MEN1KMT2A
SCHEMBL5144598 0.82 KDM2B (0.42) MEN1KMT2AAKR1C3KDM2BLIPE
SCHEMBL5145690 0.80 KMT2A (0.39) MEN1KMT2A
SCHEMBL5141450 0.79 MMP1 (0.40) MEN1KMT2A
SCHEMBL4985230 0.78 MEN1 (0.43) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL5142690 0.78 HTT (0.48) MEN1KMT2AGBA1KDM2B

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
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed