SCHEMBL28049673

SCHEMBL28049673

Cc1c(CN)c(=O)n(-c2ccccc2)n1C

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.63
PTGS2 P35354 1/20 0.63
ALOX15 P16050 2/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 3/20 0.57
KDM4E B2RXH2 3/20 0.57
ADORA3 P0DMS8 1/20 0.57
TSHR P16473 3/20 0.55
CYP1A2 P05177 2/20 0.55
THRB P10828 1/20 0.55
NAPRT Q6XQN6 1/20 0.55
POLB P06746 1/20 0.54
KMT2A Q03164 3/20 0.53
CYP2D6 P10635 1/20 0.51
MEN1 O00255 2/20 0.50
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL11474990 0.87 BCHE (0.59) BCHEPTGS2ALOX15ALDH1A1LMNA
4,4-Diantipyrylmethane Monohydrate SCHEMBL3879841 0.86 ALOX15 (0.62) BCHEPTGS2ALOX15ALDH1A1LMNA
4,4-Diantipyrylmethane Monohydrate SCHEMBL8664775 0.85 ALOX15 (0.60) BCHEPTGS2ALOX15ALDH1A1LMNA
SCHEMBL4324895 0.85 ALOX15 (0.60) BCHEPTGS2ALOX15ALDH1A1LMNA
SCHEMBL2966930 0.83 ALOX15 (0.63) BCHEPTGS2ALOX15ALDH1A1LMNA
SCHEMBL644930 0.82 POLB (0.60) BCHEPTGS2ALOX15ALDH1A1LMNA
SCHEMBL22689599 0.82 KDM4E (0.63) BCHEPTGS2ALOX15ALDH1A1LMNA
SCHEMBL1780443 0.82 KDM4E (0.59) BCHEPTGS2ALOX15ALDH1A1LMNA
SCHEMBL5209603 0.81 ALOX15 (0.60) BCHEPTGS2ALOX15ALDH1A1LMNA
SCHEMBL1780354 0.81 ALDH1A1 (0.59) BCHEPTGS2ALOX15ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115398231-A Methods related to toxicity and response associated with cell therapy for treatment of B cell malignancies 朱诺治疗学股份有限公司 2022-11-25 CN disclosed
CN-107817306-B Method for simultaneously detecting 64 veterinary drug residues in aquatic product 中山出入境检验检疫局检验检疫技术中心 2020-06-19 CN disclosed
CN-107817306-A Method for simultaneously detecting 64 veterinary drug residues in aquatic product 中山出入境检验检疫局检验检疫技术中心 2018-03-20 CN disclosed
CN-103788423-B A kind of rubber composition and tire shoulder glue and preparation method thereof SINOPEC CORP. (CN) 2016-05-25 CN disclosed
CN-103788422-B A kind of rubber composition and tire tread glue and preparation method thereof SINOPEC CORP. (CN) 2016-05-25 CN disclosed