SCHEMBL1046097

SCHEMBL1046097

c1ccc(Cc2nccn2-c2ccccn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.45
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
KDM5A P29375 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 2/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL28173706 0.81 L3MBTL1 (0.53) POLBALDH1A1MAPTHPGDNPC1
Benzene SCHEMBL20549155 0.81 L3MBTL1 (0.53) POLBALDH1A1MAPTHPGDNPC1
SCHEMBL21753738 0.79 KDM4E (0.44) KDM4EPOLBTSHRALDH1A1HSD17B10
SCHEMBL17916182 0.77 KDR (0.39)
SCHEMBL28172467 0.77 L3MBTL1 (0.45) ALDH1A1HSD17B10HPGDNPC1RAB9A
SCHEMBL9441362 0.77 KDM4E (0.42) KDM4EPOLBTSHRALDH1A1HSD17B10
SCHEMBL9067047 0.75 CYP3A4 (0.44) TSHRALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10611050 0.74 CALM1 (0.44) ALDH1A1HSD17B10MAPTHPGDKDM5A
SCHEMBL27735764 0.74 AVPR1A (0.44) KDM4EPOLBTSHRALDH1A1HSD17B10
SCHEMBL17916184 0.74 MAPT (0.40) KDM4EALDH1A1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271338-A1 METHOD FOR TREATING NEUROLOGICAL DISORDERS WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS Agency for Science, Technology And Research (SG) 2011-01-12 EP claimed
EP-2249832-A1 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS Agency for Science, Technology And Research (SG) 2010-11-17 EP claimed
WO-2009123569-A1 METHOD FOR TREATING NEUROLOGICAL DISORDERS WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-10-08 WO claimed
WO-2009096905-A1 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-08-06 WO claimed
EP-2249832-A1 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS Agency for Science, Technology And Research (SG) 2010-11-17 EP disclosed
WO-2009096905-A1 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-08-06 WO disclosed