SCHEMBL7740448

SCHEMBL7740448

COc1ccc2[nH]c(C(O)C(O)c3nc4cc(OC)ccc4[nH]3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.53
ALDH1A1 P00352 6/20 0.51
HTT P42858 3/20 0.51
HPGD P15428 3/20 0.51
USP2 O75604 2/20 0.51
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
ALPL P05186 1/20 0.47
ALPI P09923 1/20 0.47
ALPG P10696 1/20 0.47
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 4/20 0.44
GFER P55789 2/20 0.44
TSHR P16473 2/20 0.44
AXL P30530 1/20 0.44
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43

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
SCHEMBL7793308 1.00 IDO1 (0.53) IDO1ALDH1A1HTTHPGDUSP2
SCHEMBL5951828 0.89 MEN1 (0.56) IDO1ALDH1A1HTTHPGDUSP2
SCHEMBL29861059 0.87 ALDH1A1 (0.64) IDO1ALDH1A1HTTHPGDUSP2
SCHEMBL7793336 0.87 ALDH1A1 (0.64) IDO1ALDH1A1HTTHPGDUSP2
SCHEMBL1460061 0.85 KDM4E (0.58) ALDH1A1HTTHPGDMEN1KMT2A
SCHEMBL14770690 0.85 MLKL (0.52) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL13373953 0.85 MEN1 (0.46) ALDH1A1HTTHPGDMEN1KMT2A
SCHEMBL5096626 0.83 ALDH1A1 (0.47) ALDH1A1HTTHPGDMEN1KMT2A
SCHEMBL14770549 0.80 ALDH1A1 (0.42) ALDH1A1HTTHPGDMEN1KMT2A
SCHEMBL9867044 0.78 ALDH1A1 (0.75) IDO1ALDH1A1HTTHPGDUSP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed