SCHEMBL7746704

SCHEMBL7746704

CN(C)CCn1c(Cn2c3ccccc3c3ccccc32)nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.55
POLB P06746 2/20 0.54
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
TERT O14746 1/20 0.47
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 2/20 0.45
RECQL P46063 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
RAD52 P43351 1/20 0.44
RAB9A P51151 1/20 0.44

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 0.83 TOP2A (0.47) TOP2APOLBKDM4EALDH1A1HPGD
SCHEMBL7747969 0.82 TOP2A (0.46) TOP2APOLBKDM4EALDH1A1HPGD
SCHEMBL7745467 0.82 TOP2A (0.49) TOP2APOLBKDM4EALDH1A1HPGD
SCHEMBL7740578 0.82 TOP2A (0.46) TOP2APOLBKDM4EALDH1A1HPGD
SCHEMBL7745595 0.80 LMNA (0.65) POLBALDH1A1MEN1KMT2ALMNA
SCHEMBL7740999 0.80 HTR2A (0.61) TOP2APOLBKDM4EALDH1A1HPGD
SCHEMBL5858823 0.80 POLB (0.48) TOP2APOLBALDH1A1HPGDKMT2A
SCHEMBL7744925 0.79 POLB (0.47) TOP2APOLBKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL5859906 0.79 POLB (0.47) POLBALDH1A1HPGDKMT2ARECQL
SCHEMBL11826363 0.78 CYP2D6 (0.59) TOP2APOLBKDM4EALDH1A1TERT

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