SCHEMBL23935898

SCHEMBL23935898

CNCc1cccc2c(=O)n(C)ccc12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
LMNA P02545 2/20 0.45
MET P08581 1/20 0.44
TP53 P04637 3/20 0.42
MAPT P10636 4/20 0.41
BRD4 O60885 4/20 0.40
IFNAR1 P17181 1/20 0.40
POLB P06746 2/20 0.39
GRM2 Q14416 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL22797733 0.84 GAA (0.54) GAALMNAMETTP53MAPT
SCHEMBL25087345 0.79 SLC6A2 (0.41) MAPTLIPGSMN1; SMN2
SCHEMBL1254474 0.77 GPR84 (0.47) MAPTIFNAR1
SCHEMBL20824761 0.76 GAA (0.53) GAALMNATP53MAPTBRD4
SCHEMBL13833580 0.73 GAA (0.57) GAALMNATP53MAPTBRD4
SCHEMBL15519326 0.72 GAA (0.56) GAALMNATP53MAPTBRD4
SCHEMBL5140683 0.72 GAA (0.56) GAALMNATP53MAPTBRD4
SCHEMBL8268239 0.72 GAA (0.56) GAALMNATP53MAPTBRD4
SCHEMBL30098515 0.72 GAA (0.56) GAATP53MAPTBRD4POLB
SCHEMBL8063482 0.72 GAA (0.56) GAALMNAMETTP53MAPT

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-3896064-A1 4,6-DIAMINO-QUINOLINE-3-CARBONITRILE DERIVATIVES AS CANCER OSAKA THYROID (COT) MODULATORS FOR TREATING CROHN'S DISEASE AND ULCERATIVE COLITIS Gilead Sciences, Inc. (US) 2021-10-20 EP disclosed