SCHEMBL7741640

SCHEMBL7741640

CN1c2ccccc2N(Cc2nc3ccccc3n2CCCS(C)(=O)=O)S1(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
TSHR P16473 4/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.39
MAPK1 P28482 1/20 0.39
TP53 P04637 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
CXCR4 P61073 1/20 0.38
TLR8 Q9NR97 1/20 0.38

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
SCHEMBL7746853 0.79 MEN1 (0.41) MEN1KMT2AUSP2L3MBTL1SMN1; SMN2
SCHEMBL7740722 0.77 MEN1 (0.54) MEN1KMT2AUSP2L3MBTL1SMN1; SMN2
SCHEMBL7745194 0.77 SMN1; SMN2 (0.59) MEN1KMT2ASMN1; SMN2TSHRPOLB
SCHEMBL7740409 0.73 MEN1 (0.42) MEN1KMT2AUSP2L3MBTL1SMN1; SMN2
SCHEMBL13344490 0.70 TSHR (0.58) MEN1KMT2AL3MBTL1SMN1; SMN2TSHR
SCHEMBL3824637 0.70 TSHR (0.48) MEN1KMT2AUSP2L3MBTL1SMN1; SMN2
SCHEMBL7745952 0.70 RAB9A (0.45) MEN1KMT2AUSP2L3MBTL1SMN1; SMN2
SCHEMBL15416721 0.69 KMT2A (0.56) MEN1KMT2AUSP2L3MBTL1SMN1; SMN2
SCHEMBL15416397 0.69 POLB (0.61) MEN1KMT2AUSP2SMN1; SMN2TSHR
SCHEMBL5858779 0.68 SLC9A1 (0.46) MEN1KMT2AUSP2L3MBTL1SMN1; SMN2

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