SCHEMBL7740965

SCHEMBL7740965

COCCCn1c(CN2C(=O)C(=O)c3ccccc32)nc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.44
PTK2B Q14289 1/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 2/20 0.43
TP53 P04637 2/20 0.43
CES1 P23141 4/20 0.43
BCHE P06276 1/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
ALDH2 P05091 2/20 0.43
ALDH3A1 P30838 2/20 0.43
MEN1 O00255 1/20 0.43
CHRM1 P11229 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CDC25A P30304 1/20 0.42

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
SCHEMBL7746271 0.87 TSHR (0.45) TSHRSMN1; SMN2PTK2BRAB9ANPC1
SCHEMBL7745897 0.85 RAB9A (0.46) TSHRSMN1; SMN2PTK2BRAB9ATP53
SCHEMBL6480793 0.85 CES1 (0.45) TSHRPTK2BCES1BCHEKMT2A
SCHEMBL7745462 0.83 POLB (0.46) CES1BCHEALDH1A1ALDH2ALDH3A1
SCHEMBL7740562 0.83 TSHR (0.57) TSHRSMN1; SMN2TP53CES1BCHE
SCHEMBL7745478 0.82 GRM2 (0.41) TSHRSMN1; SMN2PTK2BRAB9ANPC1
SCHEMBL7746299 0.81 TSHR (0.40) TSHRSMN1; SMN2PTK2BRAB9ANPC1
SCHEMBL7745936 0.80 TSHR (0.41) TSHRSMN1; SMN2PTK2BRAB9ANPC1
SCHEMBL7741406 0.77 DRD2 (0.44) TSHRSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL7740984 0.76 TBXA2R (0.38) TSHRSMN1; SMN2RAB9ATP53ALDH1A1

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