SCHEMBL7740951

SCHEMBL7740951

CC(C)CCn1c(Cn2c(NCC(=O)O)nc3ccccc32)nc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
LMNA P02545 5/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 3/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 2/20 0.46
POLB P06746 2/20 0.46
HPGD P15428 2/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NOD1 Q9Y239 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL7745674 0.83 TSHR (0.65) TSHRMAPK1LMNAKMT2AKDM4E
SCHEMBL7745627 0.78 ALDH1A1 (0.63) TSHRMAPK1LMNAKMT2AMEN1
SCHEMBL7740507 0.78 MAPK1 (0.68) TSHRMAPK1LMNAKMT2AKDM4E
SCHEMBL3825708 0.77 TSHR (0.57) TSHRMAPK1LMNAKMT2AKDM4E
Hydrochloric Acid SCHEMBL5858859 0.76 TSHR (0.70) TSHRMAPK1LMNAKMT2AKDM4E
SCHEMBL7745601 0.75 TSHR (0.68) TSHRMAPK1LMNAKMT2AKDM4E
SCHEMBL7741764 0.75 TSHR (0.52) TSHRMAPK1KMT2AKDM4EMEN1
SCHEMBL3822957 0.75 TSHR (0.49) TSHRMAPK1LMNAKMT2AGAA
SCHEMBL7740380 0.74 MAPK1 (0.76) TSHRMAPK1LMNAKMT2AKDM4E
Hydrochloric Acid SCHEMBL16163295 0.73 TSHR (0.74) TSHRMAPK1LMNAKMT2AKDM4E

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