SCHEMBL9251437

SCHEMBL9251437

CCP(=O)(CC)c1ccc(-c2nc3cc(C(=O)NCCC(=O)OC)ccc3n2CCCCc2ccccc2)c(C(=N)N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.43
RAB9A P51151 1/20 0.42
EHMT2 Q96KQ7 2/20 0.42
PLK1 P53350 1/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 5/20 0.41
KDM4E B2RXH2 4/20 0.41
CYP2D6 P10635 4/20 0.40
CYP2C9 P11712 4/20 0.40
CYP2C19 P33261 4/20 0.40
TP53 P04637 3/20 0.40
PTGER4 P35408 3/20 0.40
CYP1A2 P05177 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
STING1 Q86WV6 1/20 0.39
CYP3A4 P08684 2/20 0.39
EHMT1 Q9H9B1 1/20 0.39
IDE P14735 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL9247668 0.86 EHMT2 (0.43) ENPP2RAB9AEHMT2PLK1MAPT
SCHEMBL9245485 0.85 PTGER4 (0.48) ENPP2RAB9AEHMT2PLK1MAPT
SCHEMBL9254678 0.84 EHMT2 (0.47) ENPP2RAB9AEHMT2PLK1MAPT
SCHEMBL9248606 0.82 EHMT2 (0.49) ENPP2RAB9AEHMT2MAPTALDH1A1
SCHEMBL9255486 0.82 EHMT2 (0.41) ENPP2RAB9AEHMT2PLK1MAPT
SCHEMBL9252259 0.82 EHMT2 (0.43) ENPP2EHMT2PLK1MAPTALDH1A1
SCHEMBL9253406 0.81 EHMT2 (0.40) ENPP2RAB9AEHMT2PLK1MAPT
SCHEMBL9251434 0.81 PTGER4 (0.47) RAB9AEHMT2MAPTALDH1A1HPGD
SCHEMBL9248676 0.80 ALDH1A1 (0.39) ENPP2RAB9AEHMT2PLK1MAPT
Hydrochloric Acid SCHEMBL9254196 0.77 JAK2 (0.45) ENPP2EHMT2PLK1MAPTALDH1A1

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