SCHEMBL13700445

SCHEMBL13700445

CC(C)c1cc(CCO)cc(-n2nc3ccc(C(=O)Nc4ccccc4)cc3n2)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
GAA P10253 3/20 0.45
HTT P42858 3/20 0.45
ALDH1A1 P00352 9/20 0.44
MAPT P10636 7/20 0.44
HPGD P15428 5/20 0.44
RAB9A P51151 5/20 0.44
POLB P06746 4/20 0.44
NPC1 O15118 4/20 0.44
BCL2 P10415 1/20 0.43
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
KDM4E B2RXH2 7/20 0.40
HSD17B10 Q99714 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 3/20 0.39
TSHR P16473 2/20 0.39
ESR1 P03372 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL13699437 0.87 MAPT (0.46) LMNAGAAHTTALDH1A1MAPT
SCHEMBL13700416 0.87 ACE2 (0.36) LMNAALDH1A1MAPTHPGDRAB9A
SCHEMBL13700442 0.87 HSP90AA1 (0.37) LMNAALDH1A1MAPTHPGDRAB9A
SCHEMBL13700466 0.85 ALDH1A1 (0.44) LMNAGAAHTTALDH1A1MAPT
SCHEMBL13700470 0.85 MAPT (0.46) LMNAGAAHTTALDH1A1MAPT
SCHEMBL13700438 0.84 CYP4A11 (0.42) LMNAGAAHTTALDH1A1MAPT
SCHEMBL13700424 0.84 JAK2 (0.33) LMNAALDH1A1MAPTHPGDRAB9A
SCHEMBL13699503 0.83 ALDH1A1 (0.44) LMNAGAAHTTALDH1A1MAPT
SCHEMBL13700405 0.82 ALDH1A1 (0.49) LMNAGAAHTTALDH1A1MAPT
SCHEMBL13700440 0.82 CYP4F2 (0.38) LMNAGAAHTTALDH1A1MAPT

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