SCHEMBL7745873

SCHEMBL7745873

N#CCCCn1c(Cn2nc(Br)c3ccncc32)nc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP3A4 P08684 1/20 0.41
LMNA P02545 4/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.37
HTT P42858 1/20 0.37
MAPK1 P28482 3/20 0.36
HPGD P15428 1/20 0.35
PDE10A Q9Y233 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL8366713 0.86 TP53 (0.41) TP53HSD17B10CYP3A4LMNAMEN1
SCHEMBL8363951 0.85 CYP3A4 (0.44) TP53HSD17B10CYP3A4LMNAMEN1
SCHEMBL8364966 0.84 SMN1; SMN2 (0.42) TP53HSD17B10CYP3A4LMNAMEN1
SCHEMBL8365507 0.84 TP53 (0.39) TP53HSD17B10CYP3A4LMNAMEN1
SCHEMBL8364710 0.83 TP53 (0.41) TP53HSD17B10CYP3A4LMNAUSP2
SCHEMBL7747916 0.82 CYP1A2 (0.46) TP53HSD17B10CYP3A4LMNAMEN1
SCHEMBL8365753 0.80 TP53 (0.42) TP53HSD17B10CYP3A4LMNAMEN1
SCHEMBL8365513 0.78 TP53 (0.45) TP53HSD17B10LMNAMEN1KMT2A
SCHEMBL6216622 0.75 ALOX5AP (0.37) TSHRMAPK1
SCHEMBL7745456 0.73 TSHR (0.61) TP53LMNAMEN1KMT2AUSP2

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