SCHEMBL7745697

SCHEMBL7745697

CC(C)CCn1c(CN2C(=O)c3ccccc3C2=O)nc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.64
MAPK1 P28482 2/20 0.64
NPSR1 Q6W5P4 1/20 0.60
PTK2B Q14289 1/20 0.53
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 2/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
GLA P06280 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 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
SCHEMBL7740562 0.87 TSHR (0.57) TSHRMAPK1NPSR1MAPTSMN1; SMN2
SCHEMBL7745839 0.83 TSHR (0.52) TSHRMAPK1NPSR1PTK2BMAPT
SCHEMBL7745373 0.81 MAPK1 (0.50) TSHRMAPK1NPSR1MAPTSMN1; SMN2
SCHEMBL7741297 0.81 TSHR (0.50) TSHRMAPK1NPSR1PTK2BMAPT
SCHEMBL18539751 0.80 SMN1; SMN2 (0.57) TSHRMAPK1NPSR1PTK2BMAPT
SCHEMBL7740571 0.79 TSHR (0.56) TSHRMAPK1MAPTSMN1; SMN2TP53
Hydrochloric Acid SCHEMBL5858859 0.79 TSHR (0.70) TSHRMAPK1MAPTSMN1; SMN2TP53
SCHEMBL7745214 0.79 TSHR (0.47) TSHRMAPK1NPSR1PTK2BMAPT
SCHEMBL7741104 0.78 TSHR (0.55) TSHRMAPK1NPSR1MAPTSMN1; SMN2
SCHEMBL14733928 0.78 TSHR (1.00) 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