SCHEMBL14390908

SCHEMBL14390908

CCc1ccc(-c2cc(-c3cccs3)nc(OCc3ccc(C(=O)O)cc3)c2N)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ TNFRSF1A P19438 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ PDE5A O76074 1/20 0.37
▸ PDE1A P54750 1/20 0.37
▸ PDE1B Q01064 1/20 0.37
▸ PDE1C Q14123 1/20 0.37
▸ HPGD P15428 5/20 0.36
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ ACMSD Q8TDX5 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36

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
SCHEMBL3594942 0.87 PDE5A (0.46) HPGDSKMT2AALDH1A1MAPTKDM4E
SCHEMBL14390695 0.83 CSNK2A1 (0.43) HPGDSKMT2AMAPTKDM4ENPSR1
SCHEMBL14391013 0.83 KDM4E (0.41) HPGDSKMT2AALDH1A1KDM4ETNFRSF1A
SCHEMBL14390899 0.80 ADORA2A (0.46) HPGDSKMT2AALDH1A1MAPTKDM4E
SCHEMBL14390903 0.80 SMN1; SMN2 (0.47) HPGDSKMT2AALDH1A1MAPTKDM4E
SCHEMBL3582806 0.79 TSHR (0.43) KMT2AALDH1A1MAPTKDM4ENPSR1
SCHEMBL14385615 0.78 HPGD (0.39) KMT2AALDH1A1MAPTKDM4ENPSR1
SCHEMBL14390862 0.77 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ETNFRSF1AGAA
SCHEMBL3584180 0.76 HPGDS (0.44) HPGDSKMT2AALDH1A1MAPTKDM4E
SCHEMBL3592534 0.76 POLB (0.43) HPGDSKMT2AALDH1A1MAPTKDM4E

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-2007124546-A1 INTEGRASE INHIBITORS 3 AVEXA LIMITED (AU) 2007-11-08 — — WO disclosed
Send feedback