SCHEMBL7740410

SCHEMBL7740410

CN(C)CCn1c(Cn2ncc3cc(N)ccc32)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR2 P34972 3/20 0.38
TOP2A P11388 1/20 0.38
EP300 Q09472 1/20 0.38
CREBBP Q92793 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
USP2 O75604 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KCNH2 Q12809 1/20 0.37
MCHR1 Q99705 1/20 0.37
EGFR P00533 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL7744925 0.88 POLB (0.47) POLBKDM4ETOP2AMEN1KMT2A
SCHEMBL29533972 0.79 CHEK1 (0.47) KCNH2MCHR1EGFR
SCHEMBL6070377 0.79 CHEK1 (0.47) KCNH2MCHR1EGFR
SCHEMBL5858823 0.75 POLB (0.48) POLBGAATOP2AKMT2AALDH1A1
Hydrochloric Acid SCHEMBL5859906 0.74 POLB (0.47) POLBGAAKMT2AALDH1A1HPGD
SCHEMBL7746704 0.73 TOP2A (0.55) POLBKDM4EGAANPC1RAB9A
Hydrochloric Acid SCHEMBL30281924 0.73 MAPT (0.51) POLBSMN1; SMN2TOP2AMEN1KMT2A
SCHEMBL7745480 0.73 TOP2A (0.47) POLBKDM4EGAATOP2AEP300
SCHEMBL7745467 0.72 TOP2A (0.49) POLBKDM4EGAATOP2AMEN1
SCHEMBL7740578 0.72 TOP2A (0.46) POLBKDM4EGAASMN1; SMN2TOP2A

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