SCHEMBL27461663

SCHEMBL27461663

CCCCN(CCCC)c1ccc(-c2ccc(N)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.55
TDP1 Q9NUW8 5/20 0.55
ALDH1A1 P00352 5/20 0.55
MAPK1 P28482 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
PSMD14 O00487 1/20 0.55
TSHR P16473 1/20 0.55
RECQL P46063 1/20 0.55
GFER P55789 1/20 0.55
MAPT P10636 2/20 0.50
TP53 P04637 2/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
ALOX15 P16050 1/20 0.40
CYP1A2 P05177 2/20 0.40
CHRM2 P08172 2/20 0.40
CYP2D6 P10635 2/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL2790604 0.94 ALDH1A1 (0.53) CYP3A4TDP1ALDH1A1MAPK1L3MBTL1
SCHEMBL143242 0.94 CYP3A4 (0.61) CYP3A4TDP1ALDH1A1MAPK1L3MBTL1
SCHEMBL7121739 0.93 ALDH1A1 (0.52) CYP3A4TDP1ALDH1A1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL6657541 0.92 CYP3A4 (0.59) CYP3A4TDP1ALDH1A1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL5697631 0.92 CYP3A4 (0.59) CYP3A4TDP1ALDH1A1MAPK1L3MBTL1
SCHEMBL13949611 0.90 CYP3A4 (0.57) CYP3A4TDP1ALDH1A1MAPK1L3MBTL1
Benzidine SCHEMBL25393276 0.90 TDP1 (0.46) CYP3A4TDP1ALDH1A1MAPK1L3MBTL1
SCHEMBL3054212 0.90 EGFR (0.46) CYP3A4TDP1ALDH1A1MAPK1L3MBTL1
SCHEMBL7122869 0.88 CYP3A4 (0.59) CYP3A4TDP1ALDH1A1MAPK1L3MBTL1
SCHEMBL45791 0.88 CYP3A4 (0.59) CYP3A4TDP1ALDH1A1MAPK1L3MBTL1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1443117-A Heat sensitive recording material CIBA SC HOLDING AG (CH) 2003-09-17 CN claimed
CN-113461549-B Compound and intermediate thereof and application of compound and intermediate thereof in organic electroluminescent device 阜阳欣奕华材料科技有限公司 2024-04-12 CN disclosed
CN-113461549-A Compound and intermediate thereof, and application of compound and intermediate in organic electroluminescent device 北京欣奕华科技有限公司 2021-10-01 CN disclosed
CN-104024220-A Phenol sulfonic acid aryl ester, color developer, and thermosensitive recording material JUJO PAPER CO LTD 2014-09-03 CN disclosed
CN-101636455-B Heat-sensitive coating composition based on resorcinol-based triazine derivatives BASF SE 2013-11-27 CN disclosed
CN-103221387-A Novel phenolsulfonic acid aryl ester derivative, and heat-ensitive recording material using same API CORP 2013-07-24 CN disclosed
CN-102483886-A Thermosensitive recording label JUJO PAPER CO LTD 2012-05-30 CN disclosed
CN-102448732-A Coating solution for heat-sensitive color developing layer and heat-sensitive recording material JUJO PAPER CO LTD 2012-05-09 CN disclosed
CN-101506734-B UV-dose indicator CIBA HOLDING INC 2012-04-11 CN disclosed
CN-101522433-B Heat-sensitive recording material API CORP 2011-08-17 CN disclosed
CN-1938370-A Method of coloring a coating composition CIBA SC HOLDING AG (CH) 2007-03-28 CN disclosed
CN-1930006-A Developer mixture for thermal recording materials and thermal recording materials API CORP (JP) 2007-03-14 CN disclosed
CN-1798661-A Heat-sensitive recording material JUJO PAPER CO LTD (JP) 2006-07-05 CN disclosed
CN-1784374-A Heat sensitive recording material CIBA SC HOLDING AG (CH) 2006-06-07 CN disclosed
CN-1729106-A Heat-sensitive recording medium JUJO PAPER CO LTD (JP) 2006-02-01 CN disclosed
CN-1656063-A Heat sensitive recording material CIBA SC HOLDING AG (CH) 2005-08-17 CN disclosed
CN-1514952-A Laser marking method �������⻯ѧƷ�ع����޹�˾ 2004-07-21 CN disclosed
CN-1158188-C Thermal recording material 日本制纸株式会社 2004-07-21 CN disclosed
CN-1443117-A Heat sensitive recording material CIBA SC HOLDING AG (CH) 2003-09-17 CN disclosed
CN-1296448-A Thermal recording material JUJO PAPER CO LTD (JP) 2001-05-23 CN disclosed