SCHEMBL6267141

SCHEMBL6267141

Nc1cc([C@@H](O)CN(CCc2ccc(S(=O)(=O)c3ccc(OCc4ccccc4)c(C(=O)O)c3)cc2)Cc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
CA4 P22748 1/20 0.35
PKM P14618 1/20 0.35
BCHE P06276 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ABCB1 P08183 1/20 0.34

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
SCHEMBL6267146 1.00 FOLH1 (0.40) FOLH1L3MBTL1CA12CA1CA2
SCHEMBL6267990 0.88 CTSV (0.43) FOLH1L3MBTL1CA12CA1CA2
SCHEMBL6267993 0.88 CTSV (0.43) FOLH1L3MBTL1CA12CA1CA2
SCHEMBL6267511 0.88 FOLH1 (0.39) FOLH1MEN1KMT2APOLBKCNH2
SCHEMBL6267508 0.88 FOLH1 (0.39) FOLH1MEN1KMT2APOLBKCNH2
SCHEMBL6270670 0.87 LRRK2 (0.39) FOLH1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL6270671 0.87 LRRK2 (0.39) FOLH1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL6269322 0.85 KDM4E (0.41) L3MBTL1CA12CA1CA2MEN1
SCHEMBL6269316 0.85 KDM4E (0.41) L3MBTL1CA12CA1CA2MEN1
SCHEMBL6273806 0.84 ALOX5 (0.43) L3MBTL1CA12CA1CA2MEN1

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-2005110981-A1 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-11-24 WO disclosed