SCHEMBL7745467

SCHEMBL7745467

CN(C)CCn1c(Cn2nc(I)c3ccccc32)nc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.49
POLB P06746 1/20 0.46
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
AKR1B1 P15121 1/20 0.40
GAA P10253 1/20 0.40
TERT O14746 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
GUCY1B2 O75343 1/20 0.40
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL7745480 0.87 TOP2A (0.47) TOP2APOLBKDM4EMEN1USP2
SCHEMBL7740578 0.86 TOP2A (0.46) TOP2APOLBKDM4EMEN1USP2
SCHEMBL7745824 0.83 MEN1 (0.40) POLBKDM4EMEN1USP2KMT2A
SCHEMBL7740405 0.83 KDM4E (0.43) POLBKDM4EMEN1USP2KMT2A
SCHEMBL7745460 0.83 TSHR (0.61) POLBKDM4EMEN1USP2KMT2A
SCHEMBL7745216 0.82 TSHR (0.50) POLBKDM4EMEN1USP2KMT2A
SCHEMBL7746704 0.82 TOP2A (0.55) TOP2APOLBKDM4EMEN1USP2
SCHEMBL7745475 0.81 AKR1B1 (0.41) POLBKDM4EMEN1USP2KMT2A
SCHEMBL7745019 0.81 KDM4E (0.47) POLBKDM4EKMT2AL3MBTL1ALDH1A1
SCHEMBL10832034 0.80 TOP2A (0.45) TOP2APOLBKDM4EGUCY1B2CYP1A2

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