SCHEMBL9255099

SCHEMBL9255099

COC(=O)CCNC(=O)c1ccc2c(c1)nc(-c1ccc(C(=N)N)cc1)n2CCCN1CCS(O)(O)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.47
JAK2 O60674 4/20 0.41
JAK1 P23458 4/20 0.41
TYK2 P29597 4/20 0.41
JAK3 P52333 4/20 0.41
EPHX2 P34913 1/20 0.40
RIPK2 O43353 1/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.40
MC4R P32245 1/20 0.39
MCHR1 Q99705 2/20 0.39
RAD52 P43351 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
SCHEMBL9255102 0.94 PTGER4 (0.47) PTGER4JAK2JAK1TYK2JAK3
Hydrochloric Acid SCHEMBL9248958 0.93 PTGER4 (0.46) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9251758 0.90 PTGER4 (0.56) PTGER4USP2TSHRHTTHSD17B10
SCHEMBL8863337 0.90 PTGER4 (0.47) PTGER4JAK2JAK1TYK2JAK3
Hydrochloric Acid SCHEMBL9245428 0.89 PTGER4 (0.47) PTGER4JAK2JAK1TYK2JAK3
Hydrochloric Acid SCHEMBL9247706 0.88 PTGER4 (0.46) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9256921 0.87 PTGER4 (0.56) PTGER4JAK2JAK1TYK2JAK3
Hydrochloric Acid SCHEMBL9254631 0.87 PTGER4 (0.49) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9255240 0.87 PTGER4 (0.55) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9248598 0.86 EPHX2 (0.52) PTGER4JAK2JAK1TYK2JAK3

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