SCHEMBL7746271

SCHEMBL7746271

COCCCn1c(CN2C(=O)C(=NO)c3ccccc32)nc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
RAB9A P51151 5/20 0.44
TP53 P04637 3/20 0.44
NPC1 O15118 2/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PTK2B Q14289 1/20 0.41
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL7740965 0.87 TSHR (0.49) TSHRSMN1; SMN2RAB9ATP53NPC1
SCHEMBL7746299 0.86 TSHR (0.40) TSHRSMN1; SMN2RAB9ATP53NPC1
SCHEMBL7745478 0.85 GRM2 (0.41) TSHRSMN1; SMN2RAB9ATP53NPC1
SCHEMBL7745578 0.85 TSHR (0.41) TSHRSMN1; SMN2RAB9ATP53NPC1
SCHEMBL8363907 0.85 ALDH1A1 (0.43) TSHRSMN1; SMN2RAB9ATP53NPC1
SCHEMBL7745839 0.84 TSHR (0.52) TSHRSMN1; SMN2TP53KMT2AMEN1
SCHEMBL7745936 0.83 TSHR (0.41) TSHRSMN1; SMN2RAB9ATP53NPC1
SCHEMBL7741406 0.82 DRD2 (0.44) TSHRSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL7740984 0.81 TBXA2R (0.38) TSHRSMN1; SMN2RAB9ATP53LMNA
SCHEMBL7748043 0.78 CYP3A4 (0.42) TSHRSMN1; SMN2RAB9ATP53NPC1

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