SCHEMBL7745534

SCHEMBL7745534

Ic1nn(Cc2nc3ccccc3[nH]2)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.48
HTT P42858 3/20 0.48
PDE10A Q9Y233 1/20 0.48
HPGD P15428 1/20 0.46
DDAH1 O94760 1/20 0.45
POLB P06746 1/20 0.45
DRD4 P21917 4/20 0.44
GAA P10253 2/20 0.43
KRAS P01116 1/20 0.43
PON1 P27169 1/20 0.42
NPC1 O15118 2/20 0.42
BCHE P06276 1/20 0.42
RAB9A P51151 1/20 0.42
AURKA O14965 1/20 0.42
DRD2 P14416 1/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL7745128 0.84 EGLN3 (0.48) EGLN3HTTPDE10AHPGDDDAH1
SCHEMBL7746431 0.77 HTT (0.55) EGLN3HTTPDE10AHPGDDDAH1
SCHEMBL5858814 0.76 EGLN3 (0.74) EGLN3HTTHPGDDDAH1POLB
SCHEMBL7745043 0.73 RECQL (0.54) EGLN3HTTHPGDDDAH1POLB
SCHEMBL7745079 0.71 CYP11B1 (0.55) EGLN3HTTHPGDDDAH1POLB
SCHEMBL1898956 0.71 CNR1 (0.58) HPGDPOLBNPC1RAB9AKDM4E
SCHEMBL5859713 0.71 HTT (0.59) HTTHPGDDDAH1POLBDRD4
SCHEMBL8521785 0.70 DRD4 (0.50) HTTHPGDPOLBDRD4GAA
SCHEMBL7745714 0.70 KRAS (0.49) EGLN3HTTPDE10AHPGDDDAH1
SCHEMBL29549275 0.70 EGLN3 (0.65) EGLN3PDE10ADDAH1POLBDRD4

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