SCHEMBL6969756

SCHEMBL6969756

CC(C)c1c(Sc2cccc(Cl)c2)nc(COC(N)=O)n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.40
HPGD P15428 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
PTPN11 Q06124 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAOB P27338 3/20 0.35
MAOA P21397 1/20 0.35
SLC6A9 P48067 2/20 0.35
ALOX5 P09917 1/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34

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
SCHEMBL6964412 0.91 ALOX12 (0.41) ALOX12HPGDMEN1KMT2AMAPT
SCHEMBL7082337 0.89 LMNA (0.36) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL6965465 0.88 ALOX12 (0.41) ALOX12HPGDMEN1KMT2AMAPT
SCHEMBL7084947 0.88 EPHX1 (0.37) MAPTALDH1A1TP53MAOBMAOA
SCHEMBL6965417 0.87 LMNA (0.37) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL6974900 0.84 LMNA (0.42) HPGDMEN1KMT2AMAPTGAA
SCHEMBL7084514 0.84 CSNK2A2 (0.37) ALOX12HPGDMEN1KMT2AMAPT
SCHEMBL6967291 0.84 ALOX12 (0.36) ALOX12MEN1KMT2APTPN11TP53
SCHEMBL6973574 0.82 KMT2A (0.41) HPGDMEN1KMT2AMAPTGAA
SCHEMBL6972112 0.82 LMNA (0.39) ALOX12HPGDMEN1KMT2AMAPT

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