SCHEMBL9251434

SCHEMBL9251434

CCP(=O)(CC)NC(=N)c1ccc(-c2nc3cc(C(=O)NCCC(=O)OC)ccc3n2CCCCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.47
RAB9A P51151 1/20 0.44
EHMT2 Q96KQ7 2/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
EPHX2 P34913 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
TP53 P04637 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2B6 P20813 1/20 0.42
NAMPT P43490 2/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41

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
SCHEMBL9245485 0.88 PTGER4 (0.48) PTGER4RAB9AEHMT2MAPTKDM4E
SCHEMBL9248606 0.86 EHMT2 (0.49) PTGER4RAB9AEHMT2MAPTKDM4E
SCHEMBL9247664 0.84 PTGER4 (0.43) PTGER4RAB9AEHMT2MAPTKDM4E
SCHEMBL9247747 0.84 PTGER4 (0.49) PTGER4RAB9AEHMT2MAPTKDM4E
SCHEMBL9254674 0.83 PTGER4 (0.44) PTGER4RAB9AEHMT2MAPTKDM4E
SCHEMBL9251437 0.81 ENPP2 (0.43) PTGER4RAB9AEHMT2MAPTKDM4E
Hydrochloric Acid SCHEMBL9254196 0.80 JAK2 (0.45) PTGER4EHMT2MAPTKDM4EALDH1A1
SCHEMBL9252687 0.80 JAK2 (0.45) PTGER4EHMT2MAPTKDM4EALDH1A1
SCHEMBL9251618 0.80 JAK2 (0.51) PTGER4EHMT2MAPTKDM4EALDH1A1
SCHEMBL9255481 0.80 PTGER4 (0.41) PTGER4EHMT2MAPTKDM4EALDH1A1

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