SCHEMBL6960667

SCHEMBL6960667

CC(C)c1nc(COCc2ccccc2)n(Cc2ccccc2)c1Sc1cccc([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CFTR P13569 5/20 0.39
HPGD P15428 4/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CCR2 P41597 1/20 0.38
F2RL3 Q96RI0 1/20 0.38
RECQL P46063 1/20 0.37
MEN1 O00255 1/20 0.37
CNR1 P21554 1/20 0.37
ACHE P22303 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL6962522 0.93 CYP2C9 (0.40) KMT2AMAPTL3MBTL1CFTRHPGD
SCHEMBL6960973 0.91 MAPT (0.39) KMT2AMAPTL3MBTL1CFTRHPGD
SCHEMBL6962629 0.90 KMT2A (0.42) KMT2AMAPTL3MBTL1CFTRHPGD
SCHEMBL6968955 0.89 MAPT (0.42) KMT2AMAPTL3MBTL1CFTRHPGD
SCHEMBL7081278 0.88 ALDH1A1 (0.40) KMT2AMAPTL3MBTL1CFTRHPGD
SCHEMBL6974703 0.85 TDP1 (0.41) KMT2AMAPTL3MBTL1HPGDALDH1A1
SCHEMBL7083804 0.84 PDE4A (0.36) KMT2AMAPTL3MBTL1HPGDALDH1A1
SCHEMBL6973218 0.84 CCR2 (0.41) KMT2AMAPTL3MBTL1CFTRHPGD
SCHEMBL6974930 0.82 RXFP1 (0.36) KMT2AMAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6967391 0.82 KMT2A (0.35) KMT2AMAPTL3MBTL1HPGDALDH1A1

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