SCHEMBL9516121

SCHEMBL9516121

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)c1ccc(N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
CYP3A4 P08684 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
MAPK1 P28482 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
PSMD14 O00487 1/20 0.57
TSHR P16473 1/20 0.57
RECQL P46063 1/20 0.57
GFER P55789 1/20 0.57
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CNR2 P34972 6/20 0.41
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL6263019 1.00 ALDH1A1 (0.57) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL7771003 1.00 ALDH1A1 (0.57) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL1498858 1.00 ALDH1A1 (0.57) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL28459289 1.00 ALDH1A1 (0.57) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL294502 1.00 ALDH1A1 (0.57) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL3691300 1.00 ALDH1A1 (0.57) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL45791 0.98 CYP3A4 (0.59) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL1154086 0.96 CYP3A4 (0.57) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL7121739 0.94 ALDH1A1 (0.52) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL20751751 0.94 CYP3A4 (0.55) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101374583-B Electrets and compounds useful in electrets 3M INNOVATIVE PROPERTIES CO 2012-07-04 CN claimed
CN-101374583-A Electrets and compounds useful in electrets 3M INNOVATIVE PROPERTIES CO (US) 2009-02-25 CN claimed
JP-2261826-A None JP disclosed
CN-101374583-B Electrets and compounds useful in electrets 3M INNOVATIVE PROPERTIES CO 2012-07-04 CN disclosed
CN-101374583-A Electrets and compounds useful in electrets 3M INNOVATIVE PROPERTIES CO (US) 2009-02-25 CN disclosed
EP-0251828-B1 INSULATING RESIN COMPOSITION AND SEMICONDUCTOR DEVICE USING THE SAME Hitachi Chemical Co., Ltd. (JP) 1993-09-22 EP disclosed
JP-H02261826-A FORMING OF ORGANIC THIN FILM TOSHIBA CORP 1990-10-24 JP disclosed
EP-0209114-A2 Amphiphilic polyimide precursor and process for preparing the same KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1987-01-21 EP disclosed