SCHEMBL19983834

SCHEMBL19983834

COc1ccc(Nc2ccc3c(C(=O)N(C)C)c[nH]c3c2)c(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 4/20 0.42
PRKAA1 Q13131 4/20 0.42
PRKAB1 Q9Y478 4/20 0.42
NR4A2 P43354 2/20 0.41
MAPT P10636 2/20 0.38
TUBB1 Q9H4B7 1/20 0.37
SYK P43405 1/20 0.37
ALK Q9UM73 2/20 0.37
PRKAB2 O43741 2/20 0.37
PRKAA2 P54646 2/20 0.37
PRKAG3 Q9UGI9 2/20 0.37
PRKAG2 Q9UGJ0 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
PABPC1 P11940 1/20 0.36
LRRK2 Q5S007 1/20 0.36
BCL6 P41182 1/20 0.36
BCOR Q6W2J9 1/20 0.36
IMPDH2 P12268 1/20 0.35

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
SCHEMBL19983975 0.87 ALK (0.40) NR4A2ALKMEN1KMT2ABCL6
SCHEMBL19984228 0.78 NR4A2 (0.46) PRKAG1PRKAA1PRKAB1NR4A2ALK
SCHEMBL19983947 0.78 TUBB1 (0.48) PRKAG1PRKAA1PRKAB1NR4A2MAPT
SCHEMBL16626544 0.76 GPR84 (0.36) PRKAG1PRKAA1PRKAB1MEN1KMT2A
SCHEMBL19984050 0.75 CYP1A2 (0.42) PRKAG1PRKAA1PRKAB1MEN1KMT2A
SCHEMBL19983934 0.74 TUBB1 (0.41) NR4A2MAPTTUBB1ROCK2ROCK1
SCHEMBL19984304 0.74 NR4A2 (0.38) NR4A2TUBB1IMPDH2RAB9A
SCHEMBL16618626 0.70 HDAC1 (0.40) SYKMEN1KMT2AHDAC1HDAC2
SCHEMBL20060890 0.70 POLB (0.47) PRKAG1PRKAA1PRKAB1MAPTTUBB1
SCHEMBL19984057 0.69 AKR1C3 (0.35) MAPTMEN1KMT2ALRRK2APP

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-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP disclosed