SCHEMBL7746431

SCHEMBL7746431

c1ccc2[nH]c(Cn3c4ccccc4c4ccccc43)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
DDAH1 O94760 1/20 0.53
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.52
PDE10A Q9Y233 1/20 0.51
EGLN3 Q9H6Z9 1/20 0.51
DRD4 P21917 4/20 0.50
GAA P10253 1/20 0.50
KRAS P01116 1/20 0.49
BCHE P06276 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PON1 P27169 1/20 0.48
PKM P14618 1/20 0.47
DRD2 P14416 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL29549275 0.86 EGLN3 (0.65) DDAH1POLBPDE10AEGLN3DRD4
SCHEMBL6095070 0.78 MEN1 (0.62) HTTDDAH1POLBHPGDEGLN3
SCHEMBL7745714 0.77 KRAS (0.49) HTTDDAH1POLBHPGDPDE10A
SCHEMBL7745128 0.77 EGLN3 (0.48) HTTDDAH1POLBHPGDPDE10A
SCHEMBL7745534 0.77 EGLN3 (0.48) HTTDDAH1POLBHPGDPDE10A
SCHEMBL5858814 0.76 EGLN3 (0.74) HTTDDAH1POLBHPGDEGLN3
SCHEMBL7745079 0.75 CYP11B1 (0.55) HTTDDAH1POLBHPGDEGLN3
SCHEMBL5157052 0.75 HTT (0.84) HTTHPGDDRD4GAANPC1
SCHEMBL5859713 0.75 HTT (0.59) HTTDDAH1POLBHPGDDRD4
SCHEMBL7745043 0.74 RECQL (0.54) HTTDDAH1POLBHPGDEGLN3

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