SCHEMBL6969108

SCHEMBL6969108

CC(C)c1nc(CCO)n(Cc2ccc([N+](=O)[O-])cc2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
P2RX3 P56373 1/20 0.35
AR P10275 2/20 0.34
DHFR P00374 1/20 0.34
TYMS P04818 1/20 0.34
TBXA2R P21731 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
NR2F2 P24468 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SRC P12931 1/20 0.34
PRKACA P17612 1/20 0.34
PRKACG P22612 1/20 0.34
PRKACB P22694 1/20 0.34
NOX4 Q9NPH5 1/20 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
SCHEMBL6961345 0.92 L3MBTL1 (0.39) L3MBTL1MEN1KMT2AP2RX3AR
SCHEMBL6962951 0.91 CCR2 (0.42) L3MBTL1MEN1KMT2AKDM4EMAPK1
SCHEMBL6962314 0.87 L3MBTL1 (0.36) L3MBTL1MEN1KMT2AARDHFR
SCHEMBL14439866 0.85 L3MBTL1 (0.38) L3MBTL1MEN1KMT2AARDHFR
SCHEMBL6961597 0.85 HSP90B1 (0.32) P2RX3KDM4ESMN1; SMN2
SCHEMBL6972629 0.84 AGTR1 (0.37) TSHRMEN1KMT2AKDM4E
SCHEMBL6969339 0.84 ALDH1A1 (0.36) MEN1KMT2AARNPC1RAB9A
SCHEMBL6969945 0.84 KCNH2 (0.34) MEN1KMT2A
SCHEMBL6970372 0.83 CCR2 (0.43) L3MBTL1MEN1KMT2AKDM4EMAPK1
Hydrochloric Acid SCHEMBL6969480 0.83 CCR2 (0.43) L3MBTL1MEN1KMT2AKDM4EMAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP claimed
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