SCHEMBL29638533

SCHEMBL29638533

COc1ccc(Nc2nccc3cc(C)ccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.60
NCOA3 Q9Y6Q9 1/20 0.60
TNF P01375 2/20 0.53
MAPT P10636 5/20 0.50
GRM1 Q13255 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 3/20 0.48
PIP4K2A P48426 1/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
EGFR P00533 4/20 0.48
HTT P42858 3/20 0.48
LCK P06239 2/20 0.48
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 2/20 0.46
PDGFRB P09619 1/20 0.46
KDR P35968 1/20 0.46

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
SCHEMBL23624389 0.84 ABL1 (0.49) NCOA1NCOA3TNFKDRTTBK1
SCHEMBL29638477 0.84 TNF (0.57) TNFMAPTMEN1KMT2AEGFR
SCHEMBL29638557 0.83 PIK3CA (0.51) TNFMEN1KMT2APIP4K2A
SCHEMBL13686770 0.82 MAPK1 (0.56) TNFMAPTMEN1KMT2ANPC1
SCHEMBL23611032 0.82 TNF (0.78) TNFMAPTGRM1EGFRHTT
SCHEMBL30012590 0.82 TNF (0.78) TNFMAPTGRM1EGFRHTT
SCHEMBL31098947 0.81 RAB9A (0.59) MAPTMEN1KMT2ALMNANPC1
SCHEMBL29638511 0.81 DYRK1A (0.47) NCOA1NCOA3MAPTMEN1KMT2A
SCHEMBL29638579 0.81 TRPA1 (0.44) NCOA1NCOA3TNFMAPTNPC1
SCHEMBL25117237 0.79 ABL1 (0.49) TNFMAPTGRM1EGFRTTBK1

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-2022089219-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-05-05 WO disclosed