SCHEMBL1045199

SCHEMBL1045199

C#CCn1ccnc1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSD17B10 Q99714 1/20 0.36
ATM Q13315 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
CALM1 P0DP23 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
LMNA P02545 1/20 0.33
FDPS P14324 1/20 0.33

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
SCHEMBL27616886 0.84 HSP90AA1 (0.40) P2RX7HSP90AA1HSD17B10ALDH1A1MEN1
SCHEMBL1723554 0.80 HSP90AA1 (0.57) HSP90AA1HSD17B10ALDH1A1MEN1CYP1A2
SCHEMBL12603635 0.78 RAB9A (0.47) HSP90AA1ALDH1A1MEN1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL4053167 0.78 HSP90AA1 (0.56) HSP90AA1HSD17B10ALDH1A1MEN1CYP1A2
SCHEMBL27228604 0.78 HSP90AA1 (0.46) HSP90AA1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL2732767 0.74 L3MBTL1 (0.48) P2RX7HSP90AA1HSD17B10ALDH1A1MEN1
Hydrochloric Acid SCHEMBL9238995 0.74 KDM4E (0.43) HSP90AA1ALDH1A1MEN1CYP1A2KMT2A
SCHEMBL28413796 0.74 FPR2 (0.47) HSP90AA1ALDH1A1MEN1CYP3A4CYP2D6
SCHEMBL22034744 0.74 KCNH2 (0.38) ATMALDH1A1
SCHEMBL10611050 0.73 CALM1 (0.44) HSP90AA1HSD17B10ALDH1A1MEN1CYP1A2

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 8 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-2271338-A1 METHOD FOR TREATING NEUROLOGICAL DISORDERS WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS Agency for Science, Technology And Research (SG) 2011-01-12 EP disclosed
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-2009123569-A1 METHOD FOR TREATING NEUROLOGICAL DISORDERS WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-10-08 WO 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