SCHEMBL9147388

SCHEMBL9147388

CC(=O)N1c2ccccc2C(C)=CC1(C)C.CN(C)C(O)=S

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.79
NPSR1 Q6W5P4 6/20 0.61
TSHR P16473 3/20 0.61
MAPK1 P28482 2/20 0.61
USP2 O75604 1/20 0.61
ALDH1A1 P00352 10/20 0.57
MAPT P10636 5/20 0.57
KDM4E B2RXH2 4/20 0.57
KMT2A Q03164 3/20 0.57
MCOLN3 Q8TDD5 1/20 0.52
MEN1 O00255 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CRHBP P24387 1/20 0.47
CYP2C19 P33261 1/20 0.47
ATM Q13315 1/20 0.47
CRHR2 Q13324 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 3/20 0.41

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
SCHEMBL29522421 0.89 LMNA (1.00) LMNANPSR1TSHRMAPK1USP2
SCHEMBL8850325 0.89 LMNA (1.00) LMNANPSR1TSHRMAPK1USP2
SCHEMBL13925444 0.76 NPSR1 (1.00) LMNANPSR1TSHRMAPK1USP2
SCHEMBL18407432 0.73 LMNA (0.70) LMNANPSR1TSHRMAPK1USP2
SCHEMBL28985711 0.73 ALDH1A1 (0.76) LMNANPSR1TSHRMAPK1USP2
SCHEMBL8623009 0.73 LMNA (0.68) LMNANPSR1TSHRMAPK1USP2
SCHEMBL17121964 0.73 LMNA (0.68) LMNANPSR1TSHRMAPK1USP2
SCHEMBL27284117 0.72 LMNA (0.68) LMNANPSR1TSHRMAPK1USP2
SCHEMBL11306212 0.72 LMNA (0.68) LMNANPSR1TSHRMAPK1USP2
SCHEMBL25221659 0.72 ALDH1A1 (0.70) LMNANPSR1TSHRMAPK1USP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5411969-A Antihyperlipidemic/antioxidant dihydroquinolines BRISTOL-MYERS SQUIBB COMPANY (US) 1995-05-02 US disclosed