SCHEMBL28007358

SCHEMBL28007358

Cc1ccc(C(C)Br)c(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.55
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
MAOB P27338 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
TRPA1 O75762 1/20 0.42
LMNA P02545 1/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL28007033 0.87 CSNK2A1 (0.48) CSNK2A1CA12CA1CA2CA4
SCHEMBL10172892 0.84 CSNK2A1 (0.59) CSNK2A1TRPA1LMNACHRM1SLC6A2
SCHEMBL7109111 0.83 ACE2 (0.54) CA12CA1CA2CA4CA6
SCHEMBL28795524 0.81 KEAP1 (0.50) CA1CA2LMNAMEN1KMT2A
SCHEMBL21084977 0.81 CSNK2A1 (0.55) CSNK2A1CA12CA1CA2CA4
SCHEMBL27714381 0.78 ALDH1A1 (0.50) MEN1KMT2AALDH1A1
SCHEMBL3930631 0.76 ALDH1A1 (0.52) CA12CA1CA2CA4CA6
SCHEMBL467550 0.74 CSNK2A1 (0.68) CSNK2A1CA12CA1CA2CA4
SCHEMBL31627797 0.74 CSNK2A1 (0.68) CSNK2A1CA12CA1CA2CA4
SCHEMBL11863770 0.74 TRPA1 (0.46) CA1CA2MAOBCA7CA9

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
CN-104910148-A Aminotriazolopyridines and use thereof as kinase inhibitors SIGNAL PHARM LLC 2015-09-16 CN disclosed
CN-102203093-B Aminotriazolopyridines and their use as kinase inhibitors SIGNAL PHARM LLC 2015-05-13 CN disclosed