SCHEMBL7741764

SCHEMBL7741764

CC(C)CCn1c(Cn2c(=O)n(CC(=O)O)c(=O)c3ccccc32)nc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
APEX1 P27695 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PDE5A O76074 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PLK1 P53350 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
CNR2 P34972 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
SCHEMBL7747083 0.88 KDM4E (0.52) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL3825708 0.80 TSHR (0.57) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL6243676 0.78 BCHE (0.49) TSHRMAPK1APEX1CNR2
SCHEMBL3827074 0.77 TSHR (0.56) TSHRMAPK1MEN1KMT2ANPSR1
SCHEMBL6499070 0.76 BCHE (0.48) TSHRMAPK1CNR2
SCHEMBL3822957 0.76 TSHR (0.49) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL3823382 0.75 TSHR (0.56) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL7740951 0.75 TSHR (0.56) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL7745627 0.75 ALDH1A1 (0.63) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL6246552 0.75 BCHE (0.47) KDM4ECNR2

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