SCHEMBL1618246

SCHEMBL1618246

CCCCc1ccc(Nc2c(C)cc(N3CCCC(C)C3)c3c2C2(OC3=O)c3ccccc3Oc3ccccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
THRB P10828 2/20 0.33
DRD2 P14416 3/20 0.32
DRD1 P21728 3/20 0.32
PLAUR Q03405 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
CRHBP P24387 1/20 0.31
HTT P42858 1/20 0.31
CRHR2 Q13324 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MLNR O43193 1/20 0.31
CSF1R P07333 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9855324 0.91 MAPT (0.35) ALDH1A1MAPTDRD2DRD1CYP2C9
SCHEMBL10801759 0.89 MAPT (0.35) ALDH1A1MAPTTHRBPLAURCYP2C9
SCHEMBL10804700 0.89 PLAUR (0.37) ALDH1A1MAPTTHRBPLAURCYP2C9
SCHEMBL10807809 0.80 MAPT (0.39) ALDH1A1MAPTTHRBCYP2C9HPGD
SCHEMBL3877302 0.79 ALDH1A1 (0.37) ALDH1A1MAPTCYP2C9HPGDCYP2C19
SCHEMBL9842282 0.79 ALDH1A1 (0.36) ALDH1A1MAPTCYP2C9HPGDCYP2C19
SCHEMBL9848550 0.72 POLB (0.36) ALDH1A1MAPTHPGDCRHBPHTT
SCHEMBL9320556 0.70 IDO1 (0.32) ALDH1A1CYP2C9HPGDALOX15
SCHEMBL10806054 0.70 MAPT (0.35) ALDH1A1MAPTPLAURCYP2C9HPGD
SCHEMBL548194 0.69 CYP2C9 (0.36) ALDH1A1MAPTCYP2C9HPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923488-B2 Leuco dyes with a N,N-dialkylamino, N,N-diarylamino, N-alkyl-N-arylamino, N-alkylamino, or N-arylamino group on one of the aromatic rings and a latent curing agent or catalyst activate-able by heat, pressure, or radiation TRILLION SCIENCE, INC. (US) 2011-04-12 US disclosed
US-20080090943-A1 Leuco dyes with a N,N-dialkylamino, N,N-diarylamino, N-alkyl-N-arylamino, N-alkylamino, or N-arylamino group on one of the aromatic rings and a latent curing agent or catalyst activate-able by heat, pressure, or radiation TRILLION, INC. 2008-04-17 US disclosed
US-5401699-A Thermosensitive elements with color developers, fluoran derivatives and azaphthalides KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1995-03-28 US disclosed
EP-0349194-B1 Heat-sensitive record material KANZAKI PAPER MFG CO LTD (JP) 1994-01-05 EP disclosed
EP-0249885-B1 HEAT-SENSITIVE RECORDING MATERIAL KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1992-01-02 EP disclosed
US-4977132-A CONTAINING FLUORAN DERIVATIVE, PHTHALIDE DERIVATIVE, PHENOLIC COMPOUND; STORAGE STABILITY KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-12-11 US disclosed
EP-0349194-A2 Heat-sensitive record material KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-01-03 EP disclosed
US-4794101-A MIXTURE OF PHTHALIDE DYE, FLUORAN COMPOUND AND POLYVALENT METAL SALT OF AN AROMATIC CARBOXYLIC ACID KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1988-12-27 US disclosed
EP-0249885-A2 Heat-sensitive recording material KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1987-12-23 EP disclosed
US-4580153-A COLOR FORMING BETWEEN COLORLESS CHROMOGENIC VINYL PHTHALIDE COMPOUND AND ELECTRON ACCEPTOR KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1986-04-01 US disclosed
US-4226912-A FLUORAN COMPOUND DEVELOPING AGENTS KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1980-10-07 US disclosed