SCHEMBL7081807

SCHEMBL7081807

CCn1c(COCCOC(N)=O)nc(C(C)C)c1Sc1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.35
SLC6A9 P48067 4/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 1/20 0.31
AKR1B1 P15121 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
MAOB P27338 1/20 0.31
TYMS P04818 1/20 0.31
DHFR P00374 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NTRK1 P04629 1/20 0.30
NTRK2 Q16620 1/20 0.30

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
SCHEMBL7086454 0.92 ALOX12 (0.35) ALOX12SLC6A9TP53RXFP1AKR1B1
SCHEMBL6975636 0.92 ALOX12 (0.36) ALOX12SLC6A9TP53RXFP1LMNA
SCHEMBL6972949 0.92 ALOX12 (0.37) ALOX12SLC6A9TP53RXFP1AKR1B1
SCHEMBL6961556 0.91
SCHEMBL6974700 0.90 ALOX12 (0.35) ALOX12SLC6A9TP53RXFP1LMNA
SCHEMBL7087212 0.89 EPHX1 (0.33) SLC6A9LMNADHFR
SCHEMBL7077454 0.89 MAOB (0.36) ALOX12SLC6A9TP53RXFP1LMNA
SCHEMBL6968857 0.89 PIM1 (0.33) ALOX12SLC6A9TP53RXFP1LMNA
SCHEMBL6965501 0.89 LMNA (0.33) TP53LMNASMN1; SMN2
SCHEMBL6965379 0.87 CYP2C9 (0.36) LMNASMN1; SMN2

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