SCHEMBL13700441

SCHEMBL13700441

CC(C)c1cc(CCO)cc(-n2nc3ccc(C(F)(F)F)cc3n2)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRA6 Q16445 1/20 0.33
PKM P14618 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
PDE2A O00408 5/20 0.32

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
SCHEMBL13699378 0.85 PKM (0.36) KDM4EPKMALDH1A1POLBHPGD
SCHEMBL5666244 0.85 GCGR (0.35) KDM4EPKMALDH1A1POLBPDE2A
SCHEMBL2637886 0.83 ALDH1A1 (0.35) KDM4EPKMALDH1A1POLBHPGD
SCHEMBL13700724 0.83 KDM4E (0.35) KDM4EPKMALDH1A1POLBHPGD
SCHEMBL13700443 0.83 NPC1 (0.37) KDM4EGABRA1GABRB1GABRA5GABRA3
SCHEMBL13700410 0.83 KDM4E (0.35) KDM4EGABRA1GABRB1GABRA5GABRA3
SCHEMBL5666240 0.82 PTPN5 (0.37) KDM4EALDH1A1POLBHPGDALOX15
SCHEMBL13700459 0.81 POLB (0.35) KDM4EPKMALDH1A1POLBHPGD
SCHEMBL13700416 0.80 ACE2 (0.36) KDM4EGABRA1GABRB1GABRA5GABRA3
SCHEMBL13699510 0.80 KDM4E (0.40) KDM4EPKMALDH1A1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324399-B2 Heat resistance improver and reversible thermosensitive recording medium RICOH COMPANY, LTD. (JP) 2012-12-04 US disclosed
US-20090239747-A1 HEAT RESISTANCE IMPROVER AND REVERSIBLE THERMOSENSITIVE RECORDING MEDIUM RICOH COMPANY, LTD. (JP) 2009-09-24 US disclosed