SCHEMBL6960973

SCHEMBL6960973

CCCn1c(COCc2ccccc2)nc(C(C)C)c1Sc1cccc([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 1/20 0.39
F2RL3 Q96RI0 1/20 0.38
CFTR P13569 1/20 0.38
HPGD P15428 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP1A2 P05177 2/20 0.35
ATM Q13315 1/20 0.35
CYP2D6 P10635 2/20 0.35
RECQL P46063 1/20 0.35
ALOX5 P09917 1/20 0.35

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) MAPTALDH1A1SMN1; SMN2F2RL3CFTR
SCHEMBL6960667 0.91 KMT2A (0.41) MAPTALDH1A1SMN1; SMN2F2RL3CFTR
SCHEMBL6972786 0.85 ALDH1A1 (0.42) MAPTALDH1A1SMN1; SMN2HTTCFTR
SCHEMBL6969264 0.84 ALDH1A1 (0.41) MAPTALDH1A1SMN1; SMN2HTTCFTR
SCHEMBL6970485 0.81 ALDH1A1 (0.42) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6962629 0.81 KMT2A (0.42) MAPTALDH1A1SMN1; SMN2CFTRHPGD
SCHEMBL6971986 0.80 CYP2C9 (0.36) MAPTALDH1A1SMN1; SMN2CFTRHPGD
SCHEMBL6968955 0.80 MAPT (0.42) MAPTALDH1A1SMN1; SMN2CFTRHPGD
SCHEMBL8801589 0.79 HSP90AA1 (0.38) MAPTALDH1A1SMN1; SMN2HTTHPGD
SCHEMBL7081278 0.79 ALDH1A1 (0.40) MAPTALDH1A1SMN1; SMN2CFTRHPGD

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