SCHEMBL7744925

SCHEMBL7744925

CN(C)CCn1c(Cn2ncc3ccccc32)nc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
RECQL P46063 2/20 0.47
TOP2A P11388 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ADRA2A P08913 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP1A2 P05177 1/20 0.41
PKM P14618 1/20 0.40
KMO O15229 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
SCHEMBL7740410 0.88 POLB (0.42) POLBTOP2AMEN1KMT2AUSP2
SCHEMBL5858823 0.81 POLB (0.48) POLBTOP2AKMT2AALDH1A1HPGD
Hydrochloric Acid SCHEMBL5859906 0.80 POLB (0.47) POLBRECQLKMT2AALDH1A1HPGD
SCHEMBL30839555 0.79 CYP1A2 (0.57) POLBRECQLTOP2AL3MBTL1ALDH1A1
SCHEMBL7746704 0.79 TOP2A (0.55) POLBRECQLTOP2AMEN1KMT2A
SCHEMBL7745480 0.79 TOP2A (0.47) POLBRECQLTOP2AMEN1KMT2A
SCHEMBL7740999 0.79 HTR2A (0.61) POLBRECQLTOP2AMEN1KMT2A
SCHEMBL7740578 0.78 TOP2A (0.46) POLBRECQLTOP2AMEN1KMT2A
SCHEMBL7745467 0.78 TOP2A (0.49) POLBRECQLTOP2AMEN1KMT2A
SCHEMBL7745595 0.76 LMNA (0.65) POLBMEN1KMT2AALDH1A1LMNA

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