SCHEMBL7741901

SCHEMBL7741901

O=c1ccc2ccccc2n1Cc1nc2ccccc2n1CCCCF

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
USP2 O75604 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
CXCR4 P61073 1/20 0.43
CYP3A4 P08684 1/20 0.42
TP53 P04637 4/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
GAA P10253 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 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
SCHEMBL7745921 0.81 MEN1 (0.41) POLBKMT2AMEN1USP2L3MBTL1
SCHEMBL7746911 0.81 MEN1 (0.45) POLBKMT2AMEN1USP2L3MBTL1
SCHEMBL7745935 0.79 MEN1 (0.39) POLBKMT2AMEN1USP2L3MBTL1
SCHEMBL7746317 0.79 MEN1 (0.43) POLBKMT2AMEN1USP2L3MBTL1
SCHEMBL7745691 0.78 SMN1; SMN2 (0.47) POLBKMT2AMEN1USP2L3MBTL1
SCHEMBL7741401 0.76 MEN1 (0.59) POLBKMT2AMEN1USP2L3MBTL1
SCHEMBL7746045 0.76 SMN1; SMN2 (0.64) POLBKMT2AMEN1SMN1; SMN2CXCR4
SCHEMBL6480793 0.74 CES1 (0.45) KMT2AMEN1USP2L3MBTL1TSHR
SCHEMBL7747488 0.74 SMN1; SMN2 (0.40) POLBKMT2AMEN1USP2L3MBTL1
SCHEMBL7746499 0.74 MEN1 (0.42) POLBKMT2AMEN1USP2L3MBTL1

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