SCHEMBL7745935

SCHEMBL7745935

C=Cc1cc2ccccc2n(Cc2nc3ccccc3n2CCCCF)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
USP2 O75604 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP3A4 P08684 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CXCR4 P61073 1/20 0.37
POLB P06746 2/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.36
TP53 P04637 3/20 0.36
MAPT P10636 3/20 0.36
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.35

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 0.84 MEN1 (0.41) MEN1KMT2AUSP2L3MBTL1CYP3A4
SCHEMBL7746911 0.83 MEN1 (0.45) MEN1KMT2AUSP2L3MBTL1SMN1; SMN2
SCHEMBL7745691 0.80 SMN1; SMN2 (0.47) MEN1KMT2AUSP2L3MBTL1SMN1; SMN2
SCHEMBL7741901 0.79 POLB (0.44) MEN1KMT2AUSP2L3MBTL1CYP3A4
SCHEMBL7747488 0.78 SMN1; SMN2 (0.40) MEN1KMT2AUSP2L3MBTL1SMN1; SMN2
SCHEMBL7746351 0.72 FEN1 (0.44) MEN1KMT2ACYP3A4SMN1; SMN2POLB
SCHEMBL7746317 0.71 MEN1 (0.43) MEN1KMT2AUSP2L3MBTL1SMN1; SMN2
SCHEMBL7746045 0.70 SMN1; SMN2 (0.64) MEN1KMT2ASMN1; SMN2CXCR4POLB
SCHEMBL7741401 0.70 MEN1 (0.59) MEN1KMT2AUSP2L3MBTL1SMN1; SMN2
SCHEMBL7745852 0.70 CYP3A4 (0.59) MEN1KMT2AUSP2L3MBTL1CYP3A4

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