SCHEMBL3285227

SCHEMBL3285227

Cc1cc(C)c(N=Nc2ccccc2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MAPT P10636 9/20 0.47
FTO Q9C0B1 1/20 0.47
KMT2A Q03164 8/20 0.45
MEN1 O00255 7/20 0.45
HSP90AA1 P07900 2/20 0.45
ATM Q13315 1/20 0.45
LMNA P02545 1/20 0.44
NPC1 O15118 6/20 0.44
RAB9A P51151 5/20 0.44
TRPA1 O75762 1/20 0.43
MAPK1 P28482 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 2/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 2/20 0.41

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
SCHEMBL3285225 1.00 ALDH1A1 (0.52) ALDH1A1MAPTFTOKMT2AMEN1
SCHEMBL1405636 0.83 MEN1 (0.68) ALDH1A1MAPTFTOKMT2AMEN1
SCHEMBL1405637 0.83 MEN1 (0.68) ALDH1A1MAPTFTOKMT2AMEN1
SCHEMBL16594280 0.82 ALDH1A1 (0.57) ALDH1A1MAPTFTOKMT2AMEN1
SCHEMBL16594278 0.82 ALDH1A1 (0.57) ALDH1A1MAPTFTOKMT2AMEN1
SCHEMBL3286343 0.81 MEN1 (0.48) ALDH1A1MAPTKMT2AMEN1HSP90AA1
SCHEMBL3286340 0.81 MEN1 (0.48) ALDH1A1MAPTKMT2AMEN1HSP90AA1
SCHEMBL503576 0.80 CYP1A2 (0.40) ALDH1A1MAPTFTOKMT2AMEN1
SCHEMBL10813112 0.79 ALDH1A1 (0.60) ALDH1A1MAPTFTOKMT2AMEN1
SCHEMBL30350383 0.79 ALDH1A1 (0.48) ALDH1A1MAPTFTOKMT2AMEN1

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-3355120-B1 TONER AND IMAGE FORMATION METHOD KONICA MINOLTA INC (JP) 2022-01-26 EP disclosed
US-9404001-B2 Photochromic latex ink XEROX CORPORATION (US) 2016-08-02 US disclosed
US-20150153479-A1 PHOTOCHROMIC LATEX INK XEROX CORPORATION (US) 2015-06-04 US disclosed
US-7708396-B2 Photochromic phase change inks XEROX CORPORATION (US) 2010-05-04 US disclosed
US-20070211124-A1 PHOTOCHROMIC PHASE CHANGE INKS XEROX CORPORATION (US) 2007-09-13 US disclosed
US-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US disclosed
US-5710420-A Method for embedding and recovering machine-readable information XEROX CORPORATION (US) 1998-01-20 US disclosed
US-5633109-A Ink compositions with liposomes containing photochromic compounds XEROX CORPORATION (US) 1997-05-27 US disclosed
US-5593486-A Photochromic hot melt ink compositions XEROX CORPORATION (US) 1997-01-14 US disclosed
US-5551973-A LIQUID CRYSTAL GEL PHASE, MICROEMULSION PHASE XEROX CORPORATION (US) 1996-09-03 US disclosed