SCHEMBL6969923

SCHEMBL6969923

Cc1cc(C)cc(Sc2nc(COC(N)=O)n(C)c2C(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALOX5 P09917 1/20 0.30
EPHX1 P07099 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7082337 0.88 LMNA (0.36) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6975484 0.88 LMNA (0.36) LMNA
SCHEMBL6966716 0.87 RAB9A (0.32) LMNANPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL7079152 0.86 NPC1 (0.32) LMNANPC1RAB9ASMN1; SMN2
SCHEMBL6965417 0.85 LMNA (0.37) LMNANPC1RAB9ASMN1; SMN2EPHX1
SCHEMBL6969756 0.82 ALOX12 (0.40) LMNAALOX5CYP1A2CYP3A4CYP2C9
SCHEMBL7084947 0.82 EPHX1 (0.37) LMNAEPHX1L3MBTL1
SCHEMBL6973251 0.82 LMNA (0.36) LMNASMN1; SMN2ALOX5EPHX1
SCHEMBL6972661 0.81 POLB (0.37) LMNASMN1; SMN2L3MBTL1
SCHEMBL8113749 0.81 MEN1 (0.34) NPC1RAB9ASMN1; 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