SCHEMBL7745456

SCHEMBL7745456

CC(C)CCn1c(Cn2nc(Br)c3ccccc32)nc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
MAPK1 P28482 1/20 0.61
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
PDE5A O76074 1/20 0.40
ALPG P10696 1/20 0.40
RECQL P46063 1/20 0.40
NOS1 P29475 1/20 0.39

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
SCHEMBL7745460 0.86 TSHR (0.61) TSHRMAPK1MAPTSMN1; SMN2TP53
SCHEMBL7745027 0.84 TSHR (0.58) TSHRMAPK1MAPTSMN1; SMN2TP53
Hydrochloric Acid SCHEMBL5858859 0.80 TSHR (0.70) TSHRMAPK1MAPTSMN1; SMN2TP53
SCHEMBL5859138 0.79 TSHR (0.65) TSHRMAPK1MAPTSMN1; SMN2TP53
SCHEMBL7745216 0.78 TSHR (0.50) TSHRMAPK1MAPTSMN1; SMN2POLB
SCHEMBL14733928 0.76 TSHR (1.00) TSHRMAPK1MAPTSMN1; SMN2TP53
SCHEMBL7745601 0.76 TSHR (0.68) TSHRMAPK1MAPTSMN1; SMN2TP53
SCHEMBL7740507 0.76 MAPK1 (0.68) TSHRMAPK1MAPTSMN1; SMN2TP53
SCHEMBL7740380 0.75 MAPK1 (0.76) TSHRMAPK1MAPTSMN1; SMN2TP53
SCHEMBL3729168 0.75 TSHR (0.76) TSHRMAPK1MAPTSMN1; SMN2TP53

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