SCHEMBL7745601

SCHEMBL7745601

CC(C)CCn1c(Cn2c(Cl)nc3ccccc32)nc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.68
MAPK1 P28482 1/20 0.68
LMNA P02545 6/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TP53 P04637 3/20 0.51
POLB P06746 2/20 0.51
ALOX5AP P20292 1/20 0.48
HTT P42858 2/20 0.47
ATM Q13315 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
USP2 O75604 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL7740507 0.84 MAPK1 (0.68) TSHRMAPK1LMNAMEN1KMT2A
SCHEMBL3729168 0.83 TSHR (0.76) TSHRMAPK1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL5858859 0.82 TSHR (0.70) TSHRMAPK1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL16163295 0.82 TSHR (0.74) TSHRMAPK1LMNAMEN1KMT2A
SCHEMBL7745674 0.82 TSHR (0.65) TSHRMAPK1LMNAMEN1KMT2A
SCHEMBL14733928 0.81 TSHR (1.00) TSHRMAPK1LMNAMEN1KMT2A
SCHEMBL7740380 0.80 MAPK1 (0.76) TSHRMAPK1LMNAMEN1KMT2A
SCHEMBL7740954 0.80 TSHR (0.76) TSHRMAPK1LMNAMEN1KMT2A
SCHEMBL5859138 0.79 TSHR (0.65) TSHRMAPK1LMNAMEN1KMT2A
SCHEMBL7745697 0.78 TSHR (0.64) TSHRMAPK1LMNAMEN1KMT2A

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