SCHEMBL9252252

SCHEMBL9252252

N=C(NC(=O)OCc1ccccc1)c1ccc(-c2nc3cc(C(=O)NCCC(=O)O)ccc3n2CCCCc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.42
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
TYK2 P29597 2/20 0.42
JAK3 P52333 2/20 0.42
EHMT2 Q96KQ7 2/20 0.41
EHMT1 Q9H9B1 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
TSSK1B Q9BXA7 1/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
PIN1 Q13526 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2B6 P20813 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
SCHEMBL9255481 0.91 PTGER4 (0.41) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9253401 0.90 PTGER4 (0.40) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9248672 0.88 PTGER4 (0.40) PTGER4EHMT2TSSK1BMAPTKDM4E
SCHEMBL9251618 0.86 JAK2 (0.51) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9245964 0.86 CYP1A2 (0.37) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9247664 0.86 PTGER4 (0.43) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9254674 0.85 PTGER4 (0.44) PTGER4JAK2JAK1TYK2JAK3
Bromide SCHEMBL9248810 0.85 JAK2 (0.50) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9253344 0.83 JAK2 (0.52) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL2652045 0.80 ENPP2 (0.51) PTGER4EHMT2EHMT1MAPTKDM4E

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 1 patent. 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