SCHEMBL2852372

SCHEMBL2852372

NS(=O)(=O)c1cccc(NC(=O)Oc2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA7 P43166 2/20 0.48
CA4 P22748 2/20 0.48
CA9 Q16790 4/20 0.46
CA12 O43570 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL2861572 0.92 CA1 (0.49) CA1CA2CA7CA4CA9
SCHEMBL2855798 0.91 MAPT (0.45) MAPTCA1CA2CA7CA4
SCHEMBL2855767 0.91 P2RX1 (0.47) MAPTCA1CA2CA7CA4
SCHEMBL2856585 0.90 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL2854610 0.90 KEAP1 (0.45) MAPTCA1CA2CA7CA4
SCHEMBL2859466 0.89 MAPT (0.46) MAPTCA1CA2CA7CA4
SCHEMBL2854620 0.89 CA1 (0.43) CA1CA2CA9CA12LMNA
SCHEMBL2850385 0.89 CA2 (0.50) MAPTCA1CA2CA7CA4
SCHEMBL2863249 0.89 LMNA (0.48) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL2852249 0.88 MAPT (0.43) MAPTCA1CA2CA7CA4

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