SCHEMBL588715

SCHEMBL588715

Cc1c(-c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
ALOX15 P16050 2/20 0.68
BCHE P06276 1/20 0.68
PTGS2 P35354 1/20 0.68
LMNA P02545 2/20 0.66
ADORA3 P0DMS8 1/20 0.66
TSHR P16473 3/20 0.65
KMT2A Q03164 2/20 0.65
CYP1A2 P05177 2/20 0.64
THRB P10828 2/20 0.64
NAPRT Q6XQN6 1/20 0.64
CYP19A1 P11511 1/20 0.60
KDM4E B2RXH2 3/20 0.58
CYP2D6 P10635 1/20 0.58
POLB P06746 1/20 0.57
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 2/20 0.54
TP53 P04637 1/20 0.54

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
SCHEMBL6889907 0.91 ALDH1A1 (0.62) ALDH1A1ALOX15BCHEPTGS2LMNA
SCHEMBL28914842 0.89 ALDH1A1 (0.60) ALDH1A1ALOX15BCHEPTGS2LMNA
SCHEMBL14159232 0.87 ALOX15 (0.67) ALDH1A1ALOX15BCHEPTGS2LMNA
SCHEMBL2449608 0.84 ALOX15 (0.68) ALDH1A1ALOX15BCHEPTGS2LMNA
SCHEMBL25263070 0.84 CYP19A1 (0.60) ALDH1A1ALOX15BCHEPTGS2LMNA
SCHEMBL28668482 0.84 ALOX15 (0.62) ALDH1A1ALOX15BCHEPTGS2LMNA
Hydrochloric Acid SCHEMBL28311112 0.82 ALOX15 (0.66) ALDH1A1ALOX15BCHEPTGS2LMNA
SCHEMBL27660283 0.82 ALOX15 (0.66) ALDH1A1ALOX15BCHEPTGS2LMNA
SCHEMBL151171 0.81 ALOX15 (1.00) ALDH1A1ALOX15BCHEPTGS2LMNA
SCHEMBL23907012 0.81 BCHE (0.64) ALDH1A1ALOX15BCHEPTGS2LMNA

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
EP-1638577-B1 PHARMACEUTICAL PREPARATION FOR TREATING TROPICAL PARASITIC DISEASES CONTAINING DIAMINAZEN-DIACETURATE TROPMED GMBH (DE) 2012-02-15 EP claimed
CN-115605254-A Balloon catheter with precise drug elution capability 巴德股份有限公司(US) 2023-01-13 CN disclosed
CN-103271083-B Multi-functional ionic liquid compositions 阿拉巴马大学 2017-08-11 CN disclosed
CN-101398414-B Method for qualitatively screening 242 kinds of compounds by liquid phase chromatography-mass spectra at the same times CRIMINAL INVEST DEPT OF SHANGHAI POLICE STATION 2011-07-20 CN disclosed
CN-101398414-A Method for qualitatively screening 242 kinds of compounds by liquid phase chromatography-mass spectra at the same times CRIMINAL INVEST GENERAL UNIT O (CN) 2009-04-01 CN disclosed