SCHEMBL7745817

SCHEMBL7745817

CC[N+](C)(CC)CCn1c(CN2C(=O)c3cccc4cccc2c34)nc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CASP1 P29466 1/20 0.49
MPI P34949 1/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
UBE2N P61088 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
ATM Q13315 1/20 0.42
TSHR P16473 1/20 0.41
PTK2B Q14289 1/20 0.41
CYP1B1 Q16678 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 3/20 0.39
POLB P06746 2/20 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
SCHEMBL7745469 0.91 HPGD (0.46) HPGDALDH1A1SMN1; SMN2CASP1MPI
SCHEMBL7745712 0.83 PKM (0.48) HPGDALDH1A1SMN1; SMN2CASP1MPI
SCHEMBL7745816 0.83 HEXA (0.53) HPGDALDH1A1SMN1; SMN2CASP1MPI
SCHEMBL7745820 0.73 POLB (0.41) HPGDALDH1A1L3MBTL1LMNATSHR
SCHEMBL7740562 0.69 TSHR (0.57) ALDH1A1SMN1; SMN2LMNATSHRPOLB
SCHEMBL7745462 0.69 POLB (0.46) ALDH1A1LMNAPOLB
SCHEMBL29437299 0.69 ALDH1A1 (1.00) HPGDALDH1A1SMN1; SMN2CASP1MPI
SCHEMBL6270684 0.69 ALDH1A1 (1.00) HPGDALDH1A1SMN1; SMN2CASP1MPI
SCHEMBL7745697 0.69 TSHR (0.64) HPGDALDH1A1SMN1; SMN2LMNAATM
SCHEMBL7740965 0.67 TSHR (0.49) ALDH1A1SMN1; SMN2L3MBTL1TSHRPTK2B

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