SCHEMBL7745944

SCHEMBL7745944

CC(C)Sc1cnn(Cc2nc3ccccc3n2CCCS(C)(=O)=O)c(=O)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
USP2 O75604 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 3/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL7745952 0.86 RAB9A (0.45) SMN1; SMN2USP2MEN1KMT2AL3MBTL1
SCHEMBL7745960 0.83 SMN1; SMN2 (0.40) SMN1; SMN2USP2MEN1KMT2AL3MBTL1
SCHEMBL7741635 0.79 NPC1 (0.43) SMN1; SMN2USP2MEN1KMT2AL3MBTL1
SCHEMBL7740722 0.74 MEN1 (0.54) SMN1; SMN2USP2MEN1KMT2AL3MBTL1
SCHEMBL7740409 0.72 MEN1 (0.42) SMN1; SMN2USP2MEN1KMT2AL3MBTL1
SCHEMBL7745194 0.70 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2APOLBNPC1
SCHEMBL18543026 0.69 RAB9A (0.52) SMN1; SMN2MEN1KMT2APOLBNPC1
SCHEMBL3824637 0.67 TSHR (0.48) SMN1; SMN2USP2MEN1KMT2AL3MBTL1
SCHEMBL15416721 0.67 KMT2A (0.56) SMN1; SMN2USP2MEN1KMT2AL3MBTL1
SCHEMBL15416463 0.67 MEN1 (0.41) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C19

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