SCHEMBL6952191

SCHEMBL6952191

C=C(c1c(-c2ccccc2)n(CC)c2ccccc12)c1c(-c2ccccc2)n(CC)c2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.73
KDM4E B2RXH2 7/20 0.73
POLB P06746 1/20 0.73
HPGD P15428 1/20 0.73
NPC1 O15118 3/20 0.66
MAPT P10636 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
HTT P42858 2/20 0.66
RAB9A P51151 2/20 0.66
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
RCE1 Q9Y256 1/20 0.50
CLK1 P49759 1/20 0.48
GRIK2 Q13002 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HCRTR1 O43613 1/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL9416230 0.93 ALDH1A1 (0.64) ALDH1A1KDM4EPOLBHPGDNPC1
SCHEMBL7478756 0.93 KDM4E (0.68) ALDH1A1KDM4EPOLBHPGDNPC1
SCHEMBL9353406 0.85 ALDH1A1 (0.55) ALDH1A1KDM4EPOLBHPGDNPC1
SCHEMBL9581133 0.83 KDM4E (0.55) ALDH1A1KDM4EPOLBHPGDNPC1
SCHEMBL9685003 0.83 CYP19A1 (0.54) ALDH1A1KDM4EPOLBHPGDNPC1
SCHEMBL14142602 0.82 ALDH1A1 (0.78) ALDH1A1KDM4EPOLBHPGDNPC1
SCHEMBL9353451 0.79 ALDH1A1 (0.61) ALDH1A1KDM4EPOLBHPGDNPC1
SCHEMBL6944584 0.79 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBHPGDNPC1
SCHEMBL7483463 0.77 KDM4E (0.52) ALDH1A1KDM4EPOLBHPGDNPC1
SCHEMBL23665263 0.77 GRIK2 (0.72) ALDH1A1KDM4EPOLBHPGDNPC1

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
JP-6345760-A None JP disclosed
EP-0581589-B1 Phthalide compounds, and recording materials using the compounds YAMAMOTO CHEMICALS INC (JP) 2003-03-26 EP disclosed
JP-H06345760-A PHTHALIDE COMPOUND AND RECORDING MATERIAL YAMAMOTO CHEM INC 1994-12-20 JP disclosed
EP-0581589-A2 Phthalide compounds, and recording materials using the compounds YAMAMOTO CHEMICALS, INC. (JP) 1994-02-02 EP disclosed
US-5229522-A Reaction of indole and acetic anhydride with Lewis acids as catalysts APPLETON PAPERS INC. (US) 1993-07-20 US disclosed
US-5118814-A Pressure sensitive and heat sensitive recording media BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed
US-5001105-A Bis-(indoly)ethylenes record systems utilizing such compounds APPLETON PAPERS INC. (US) 1991-03-19 US disclosed
US-4996328-A Chromogens APPLETON PAPERS INC. (US) 1991-02-26 US disclosed
EP-0386992-A2 Colour formers for recording sheets APPLETON PAPERS INC. (US) 1990-09-12 EP disclosed
EP-0370198-A1 Tetraindolyl heptamethine derivatives BAYER AG (DE) 1990-05-30 EP disclosed