SCHEMBL9247668

SCHEMBL9247668

COC(=O)CCNC(=O)c1ccc2c(c1)nc(-c1ccc(C(=O)OCOC(C)=O)cc1C(=N)N)n2CCCCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 2/20 0.43
ENPP2 Q13822 1/20 0.42
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HPGD P15428 5/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 4/20 0.40
CYP2D6 P10635 4/20 0.39
CYP2C9 P11712 4/20 0.39
CYP2C19 P33261 4/20 0.39
CYP1A2 P05177 2/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLK1 P53350 1/20 0.38
STING1 Q86WV6 1/20 0.38
CYP3A4 P08684 2/20 0.37
PTGER4 P35408 3/20 0.37
EHMT1 Q9H9B1 1/20 0.37
IDE P14735 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL9255486 0.94 EHMT2 (0.41) EHMT2ENPP2RAB9AALDH1A1HPGD
SCHEMBL9253406 0.88 EHMT2 (0.40) EHMT2ENPP2RAB9AALDH1A1HPGD
SCHEMBL9254678 0.87 EHMT2 (0.47) EHMT2ENPP2RAB9AALDH1A1HPGD
SCHEMBL9251437 0.86 ENPP2 (0.43) EHMT2ENPP2RAB9AALDH1A1HPGD
SCHEMBL9252259 0.86 EHMT2 (0.43) EHMT2ENPP2ALDH1A1HPGDMAPT
SCHEMBL9252687 0.85 JAK2 (0.45) EHMT2ENPP2ALDH1A1HPGDMAPT
SCHEMBL9248676 0.83 ALDH1A1 (0.39) EHMT2ENPP2RAB9AALDH1A1HPGD
SCHEMBL9245966 0.83 F10 (0.37) EHMT2ENPP2ALDH1A1HPGDMAPT
SCHEMBL9245485 0.82 PTGER4 (0.48) EHMT2ENPP2RAB9AALDH1A1HPGD
SCHEMBL9247664 0.82 PTGER4 (0.43) EHMT2ENPP2RAB9AALDH1A1HPGD

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