SCHEMBL6971673

SCHEMBL6971673

CCn1c(CO)nc(C(C)C)c1Sc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
GCGR P47871 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
DHODH Q02127 4/20 0.35
POLB P06746 2/20 0.34
NPSR1 Q6W5P4 1/20 0.32
RECQL P46063 1/20 0.32
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SLC6A4 P31645 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL6975218 0.90 SMN1; SMN2 (0.36) SMN1; SMN2GCGRKMT2AMEN1POLB
SCHEMBL6968809 0.87 ALDH1A1 (0.38) SMN1; SMN2GCGRKMT2AMEN1TSHR
SCHEMBL6965584 0.86 MEN1 (0.35) SMN1; SMN2GCGRKMT2AMEN1LMNA
SCHEMBL6967197 0.86 SLC6A4 (0.34) SMN1; SMN2GCGRKMT2AMEN1LMNA
SCHEMBL6961885 0.85 TP53 (0.37) KMT2AMEN1DHODHPOLBNPSR1
SCHEMBL6974771 0.85 DHODH (0.43) GCGRKMT2ADHODHATMLMNA
SCHEMBL7086624 0.84 ACSS2 (0.34) SMN1; SMN2GCGRTSHRATM
SCHEMBL7082939 0.84 SMN1; SMN2 (0.31) SMN1; SMN2LMNASLC6A4ALDH1A1MAPT
SCHEMBL7084256 0.84 SMN1; SMN2 (0.35) SMN1; SMN2TSHRLMNASLC6A4ALDH1A1
SCHEMBL6972514 0.84 HTR2C (0.35) SMN1; SMN2KMT2AMEN1LMNASLC6A4

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