SCHEMBL22567048

SCHEMBL22567048

CC(C)c1ccc(N=Nc2ccc(S(=O)(=O)Cl)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
PTGS2 P35354 4/20 0.42
PTGS1 P23219 2/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
CDK1 P06493 1/20 0.42
CDK2 P24941 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 2/20 0.39
CYP2D6 P10635 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL343985 0.88 ALDH1A1 (0.50) CA12CA2CA9PTGS2ALDH1A1
Hydrochloric Acid SCHEMBL7568273 0.86 ALDH1A1 (0.48) CA12CA2CA9PTGS2ALDH1A1
SCHEMBL9620534 0.84 HSD17B10 (0.52) CA12CA2CA9PTGS2PTGS1
SCHEMBL20251135 0.79 RAB9A (0.50) PTGS2PTGS1ALDH1A1MAPTNPC1
SCHEMBL20251140 0.79 RAB9A (0.50) PTGS2PTGS1ALDH1A1MAPTNPC1
SCHEMBL48732 0.76 POLB (0.64) CA12CA2CA9ALDH1A1MAPT
SCHEMBL48731 0.76 POLB (0.64) CA12CA2CA9ALDH1A1MAPT
SCHEMBL42344 0.74 NPC1 (0.69) CA12CA2CA9PTGS2PTGS1
SCHEMBL15704429 0.74 CA2 (0.69) CA12CA2CA9PTGS2ALDH1A1
SCHEMBL42343 0.74 NPC1 (0.69) CA12CA2CA9PTGS2PTGS1

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-20200333349-A1 SIGNALING CONJUGATES AND METHODS OF USE VENTANA MED SYST INC (US) 2020-10-22 US disclosed