SCHEMBL9254674

SCHEMBL9254674

COC(=O)NC(=N)c1ccc(-c2nc3cc(C(=O)NCCC(=O)OCC(C)C)ccc3n2CCCCc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.44
EHMT2 Q96KQ7 2/20 0.42
TSSK1B Q9BXA7 1/20 0.41
NAMPT P43490 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
PLK1 P53350 1/20 0.40
RAB9A P51151 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
ENPP2 Q13822 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
Hydrochloric Acid SCHEMBL9255414 0.91 JAK2 (0.44) PTGER4EHMT2TSSK1BNAMPTKDM4E
SCHEMBL9247664 0.88 PTGER4 (0.43) PTGER4EHMT2TSSK1BNAMPTKDM4E
SCHEMBL9255481 0.87 PTGER4 (0.41) PTGER4EHMT2TSSK1BNAMPTKDM4E
SCHEMBL9253401 0.86 PTGER4 (0.40) PTGER4EHMT2TSSK1BNAMPTKDM4E
SCHEMBL9252252 0.85 PTGER4 (0.42) PTGER4EHMT2TSSK1BNAMPTKDM4E
SCHEMBL9248672 0.84 PTGER4 (0.40) PTGER4EHMT2TSSK1BNAMPTKDM4E
SCHEMBL9245485 0.84 PTGER4 (0.48) PTGER4EHMT2KDM4EALDH1A1MAPT
SCHEMBL9254678 0.83 EHMT2 (0.47) PTGER4EHMT2NAMPTKDM4EALDH1A1
SCHEMBL9251434 0.83 PTGER4 (0.47) PTGER4EHMT2NAMPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9254196 0.82 JAK2 (0.45) PTGER4EHMT2TSSK1BKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 US disclosed
EP-0531883-A1 Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-03-17 EP disclosed