SCHEMBL19984808

SCHEMBL19984808

COc1ccccc1-c1nnc(CNSC2CC2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.50
PTK2 Q05397 1/20 0.48
KMT2A Q03164 1/20 0.47
LMNA P02545 2/20 0.47
STAT3 P40763 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ANO1 Q5XXA6 1/20 0.47
ANO2 Q9NQ90 1/20 0.47
HPGD P15428 3/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
THRB P10828 1/20 0.43
MAPK1 P28482 1/20 0.43
GLA P06280 2/20 0.42
PTGS2 P35354 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 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
SCHEMBL19984828 0.78 TP53 (0.47) EGFRPTK2KMT2ALMNASTAT3
SCHEMBL19984993 0.78 PTK2 (0.48) EGFRPTK2KMT2ALMNASTAT3
SCHEMBL13073875 0.76 PTK2 (0.59) EGFRPTK2KMT2ALMNAANO1
SCHEMBL19984969 0.75 CTSS (0.51) EGFRPTK2KMT2ALMNASTAT3
SCHEMBL3828361 0.74 PTK2 (0.57) EGFRPTK2KMT2ALMNAANO1
SCHEMBL16509724 0.73 ALDH1A1 (0.57) EGFRPTK2KMT2ALMNAANO1
SCHEMBL19984818 0.73 KMT2A (0.47) EGFRPTK2KMT2ALMNASTAT3
SCHEMBL1543450 0.72 PTK2 (0.55) EGFRPTK2KMT2ALMNAANO1
SCHEMBL19984832 0.72 KMT2A (0.47) EGFRPTK2KMT2ALMNASTAT3
SCHEMBL19984784 0.71 PTK2 (0.47) EGFRPTK2KMT2ALMNAANO1

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
WO-2018051255-A1 CYCLIC SUBSTITUTED-1,3,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-22 WO disclosed