SCHEMBL2732767

SCHEMBL2732767

C=CCn1ccnc1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
APOBEC3G Q9HC16 1/20 0.37
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX12 P18054 1/20 0.35
P2RX7 Q99572 1/20 0.35
CALM1 P0DP23 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
SCHEMBL3024263 0.86 L3MBTL1 (0.35) L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL1723554 0.80 HSP90AA1 (0.57) MEN1KMT2AHSP90AA1HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL4053167 0.78 HSP90AA1 (0.56) L3MBTL1MEN1KMT2AHSP90AA1HSD17B10
SCHEMBL12603635 0.78 RAB9A (0.47) L3MBTL1MEN1KMT2AHSP90AA1RAB9A
SCHEMBL27228604 0.78 HSP90AA1 (0.46) MEN1KMT2AHSP90AA1HSD17B10ALDH1A1
SCHEMBL28413796 0.77 FPR2 (0.47) MEN1KMT2AHSP90AA1ALDH1A1CYP3A4
SCHEMBL6886049 0.77 GAA (0.47) L3MBTL1HSP90AA1HPGDSMN1; SMN2HSD17B10
SCHEMBL207290 0.75 ADORA2B (0.32)
Hydrochloric Acid SCHEMBL25367680 0.75 GAA (0.46) L3MBTL1KMT2AHSP90AA1HPGDSMN1; SMN2
SCHEMBL1045199 0.74 P2RX7 (0.40) MEN1KMT2AHSP90AA1HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445896-A2 METHOD OF SYNTHESIZING ORGANIC MOLECULES IN IONIC LIQUIDS VTU Holding GmbH (AT) 2012-05-02 EP claimed
WO-2010149675-A2 METHOD OF SYNTHESIZING ORGANIC MOLECULES VTU HOLDING GMBH (AT) 2010-12-29 WO claimed
EP-2445896-A2 METHOD OF SYNTHESIZING ORGANIC MOLECULES IN IONIC LIQUIDS VTU Holding GmbH (AT) 2012-05-02 EP disclosed
WO-2010149675-A2 METHOD OF SYNTHESIZING ORGANIC MOLECULES VTU HOLDING GMBH (AT) 2010-12-29 WO disclosed
WO-2010017564-A1 BORON SELECTIVE IONIC LIQUIDS AND POLYMERIC IONIC LIQUIDS, METHODS OF MAKING AND METHODS OF USE THEREOF UNIVERSITY OF TOLEDO (US) 2010-02-11 WO disclosed
WO-2010017563-A1 POLYMERIC IONIC LIQUIDS, METHODS OF MAKING AND METHODS OF USE THEREOF UNIVERSITY OF TOLEDO (US) 2010-02-11 WO disclosed
EP-2114968-A2 HIGH STABILITY DIIONIC LIQUID SALTS Sigma-Aldrich Co. (US) 2009-11-11 EP disclosed
WO-2008095064-A2 HIGH STABILITY DIIONIC LIQUID SALTS SIGMA-ALDRICH CO. (US) 2008-08-07 WO disclosed
US-20060051613-A1 Material for organic electroluminescent device and organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2006-03-09 US disclosed
EP-1595933-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2005-11-16 EP disclosed