SCHEMBL29020992

SCHEMBL29020992

Cc1ccc(NC(C)Cc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.55
TAAR1 Q96RJ0 3/20 0.55
SLC18A2 Q05940 1/20 0.55
HTT P42858 1/20 0.52
CYP3A4 P08684 2/20 0.51
TSHR P16473 2/20 0.51
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
MAPK1 P28482 1/20 0.51
HIF1A Q16665 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
GAA P10253 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL903704 0.88 SIGMAR1 (0.63) SIGMAR1TAAR1SLC18A2CYP3A4TSHR
SCHEMBL970741 0.82 TAAR1 (0.66) SIGMAR1TAAR1SLC18A2CYP3A4TSHR
SCHEMBL3905889 0.82 SIGMAR1 (0.54) SIGMAR1TAAR1SLC18A2CYP3A4TSHR
SCHEMBL9320616 0.82 SIGMAR1 (0.53) SIGMAR1TAAR1SLC18A2CYP3A4TSHR
SCHEMBL431573 0.80 HTT (0.50) HTTCYP3A4ALDH1A1ALOX12MAPK1
SCHEMBL5536511 0.80 SIGMAR1 (0.53) SIGMAR1TAAR1SLC18A2CYP3A4TSHR
SCHEMBL10725182 0.80 TAAR1 (0.56) SIGMAR1TAAR1SLC18A2CYP3A4TSHR
SCHEMBL3748719 0.80 TDP1 (0.52) SIGMAR1TAAR1SLC18A2CYP3A4TSHR
SCHEMBL5010083 0.77 SIGMAR1 (0.46) SIGMAR1TAAR1SLC18A2CYP3A4TSHR
SCHEMBL8092729 0.76 SIGMAR1 (0.82) SIGMAR1TAAR1SLC18A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117752782-A Subcutaneous HER2 antibody formulations 豪夫迈·罗氏有限公司 2024-03-26 CN disclosed
CN-117180422-A Adjuvant therapy of HER2 positive breast cancer 豪夫迈·罗氏有限公司 2023-12-08 CN disclosed
CN-110167594-B Subcutaneous HER2 antibody formulations 豪夫迈·罗氏有限公司 2023-11-21 CN disclosed
CN-117018187-A Use of the HER2 dimerization inhibitor pertuzumab and articles of manufacture comprising the HER2 dimerization inhibitor pertuzumab 霍夫曼-拉罗奇有限公司 2023-11-10 CN disclosed
CN-116271011-B Use of the HER2 dimerization inhibitor pertuzumab and articles of manufacture comprising the HER2 dimerization inhibitor pertuzumab 霍夫曼-拉罗奇有限公司 2023-10-27 CN disclosed
CN-116850283-A Adjuvant therapy of HER2 positive breast cancer 豪夫迈·罗氏有限公司 2023-10-10 CN disclosed
CN-116808199-A Use of the HER2 dimerization inhibitor pertuzumab and articles of manufacture comprising the HER2 dimerization inhibitor pertuzumab 霍夫曼-拉罗奇有限公司 2023-09-29 CN disclosed
CN-116531511-A Adjuvant therapy of HER2 positive breast cancer 豪夫迈·罗氏有限公司 2023-08-04 CN disclosed
CN-110337450-B Adjuvant therapy of HER2 positive breast cancer 豪夫迈·罗氏有限公司 2023-07-25 CN disclosed
CN-109908341-B Use of the HER2 dimerization inhibitor pertuzumab and articles of manufacture comprising the HER2 dimerization inhibitor pertuzumab 霍夫曼-拉罗奇有限公司 2023-06-27 CN disclosed
CN-116271013-A Use of the HER2 dimerization inhibitor pertuzumab and articles of manufacture comprising the HER2 dimerization inhibitor pertuzumab 霍夫曼-拉罗奇有限公司 2023-06-23 CN disclosed
CN-116271011-A Use of the HER2 dimerization inhibitor pertuzumab and articles of manufacture comprising the HER2 dimerization inhibitor pertuzumab 霍夫曼-拉罗奇有限公司 2023-06-23 CN disclosed
CN-116236569-A Use of the HER2 dimerization inhibitor pertuzumab and articles of manufacture comprising the HER2 dimerization inhibitor pertuzumab 霍夫曼-拉罗奇有限公司 2023-06-09 CN disclosed