SCHEMBL7745443

SCHEMBL7745443

CS(=O)(=O)c1ccc(CO/N=C2/C(=O)N(Cc3nc4ccccc4n3CCCCO)c3ncccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
BRD4 O60885 1/20 0.36
CLK2 P49760 1/20 0.35
CDK9 P50750 1/20 0.35
MST1R Q04912 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
ENPP2 Q13822 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
TSHR P16473 3/20 0.34
POLB P06746 2/20 0.34
DRD2 P14416 1/20 0.34
TBXA2R P21731 1/20 0.34
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL7745634 0.90 ALDH1A1 (0.37) CYP3A4MEN1KMT2ACLK2CDK9
SCHEMBL7741673 0.84 CYP3A4 (0.43) CYP3A4MEN1KMT2AALDH1A1TDP1
SCHEMBL7745795 0.84 MEN1 (0.43) CYP3A4MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7745784 0.83 CYP3A4 (0.40) CYP3A4MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7745448 0.80 TSHR (0.35) MEN1KMT2ASMN1; SMN2TSHRPOLB
SCHEMBL7745730 0.78 DRD2 (0.34) CYP3A4ALDH1A1SMN1; SMN2TSHRPOLB
SCHEMBL7746066 0.77 TP53 (0.37) CYP3A4ALDH1A1SMN1; SMN2TSHRPOLB
SCHEMBL7745971 0.74 TP53 (0.34) CYP3A4MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7746216 0.74 MAPT (0.38) CYP3A4MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7741368 0.73 RAB9A (0.43) MEN1KMT2ASMN1; SMN2POLBMAPT

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 1 patent. 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