SCHEMBL6975529

SCHEMBL6975529

Cc1cc(C)cc(Sc2c(C(C)C)nc(CCCOC(N)=O)n2Cc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
PPARG P37231 5/20 0.35
TLR7 Q9NYK1 3/20 0.35
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6972473 0.95 LMNA (0.36) LMNAALDH1A1TSHRKDM4ESMN1; SMN2
SCHEMBL6968648 0.92 P2RX3 (0.33) LMNAPPARGTLR7KCNH2ALDH1A1
SCHEMBL6973707 0.91 ALDH1A1 (0.34) LMNATLR7ALDH1A1KDM4E
SCHEMBL6971875 0.90 LMNA (0.41) LMNAPPARGTLR7KCNH2TDP1
SCHEMBL7080037 0.89 POLB (0.37) LMNAALDH1A1TSHRKDM4ESMN1; SMN2
SCHEMBL6974739 0.88 PLA2G2A (0.35) LMNATLR7ALDH1A1KDM4EPOLB
SCHEMBL6965395 0.88 LMNA (0.35) LMNAALDH1A1
SCHEMBL7085881 0.87 LMNA (0.31) LMNA
SCHEMBL7082248 0.86 LMNA (0.40) LMNAPPARGTLR7KCNH2
SCHEMBL6964122 0.86 P2RX3 (0.34) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP disclosed
US-6147097-A METHOD FOR TREATING AIDS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
US-5910506-A IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC SHIONOGI & CO., LTD. (JP) 1999-06-08 US disclosed
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed