SCHEMBL4029965

SCHEMBL4029965

C[C@@](O)(Cc1c[nH]c2ccccc12)NC(=O)c1cccc(I)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.47
CCND1 P24385 4/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ANO1 Q5XXA6 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
GPR84 Q9NQS5 3/20 0.43
MAPT P10636 1/20 0.43
NMBR P28336 1/20 0.43
SIRT1 Q96EB6 1/20 0.42
TP53BP1 Q12888 1/20 0.41

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
SCHEMBL4028879 0.82 ALOX5 (0.47) CDK4CCND1MEN1KMT2ANPC1
SCHEMBL4034270 0.79 KMT2A (0.46) MEN1KMT2AANO1ALDH1A1MAPT
SCHEMBL4039235 0.79 ALOX5 (0.44) CDK4CCND1MEN1KMT2ANPC1
SCHEMBL5149351 0.78 ANO1 (0.41) MEN1KMT2AANO1ALDH1A1
SCHEMBL4034817 0.78 ALOX5 (0.46) CDK4CCND1MEN1KMT2ANPC1
SCHEMBL4034576 0.77 ALOX5 (0.52) CDK4CCND1MEN1KMT2ANPC1
SCHEMBL4029961 0.74 ERAP2 (0.52) CDK4CCND1MEN1KMT2ANPC1
SCHEMBL11829083 0.74 MEN1 (0.55) CDK4CCND1MEN1KMT2ANPC1
SCHEMBL21198341 0.71 ANO1 (0.78) ANO1
SCHEMBL4001473 0.70 MEN1 (0.54) CDK4CCND1MEN1KMT2ANPC1

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-2019102-A1 Alkylacetylene substituted Acyltryptophanols Bayer Schering Pharma AG (DE) 2009-01-28 EP disclosed