SCHEMBL8949169

SCHEMBL8949169

COC(=O)C1CCC(N(C)C(=O)c2cnc(-c3ccc(C#N)cc3)nc2Cl)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 5/20 0.43
MELK Q14680 8/20 0.36
USP30 Q70CQ3 1/20 0.36
KDM1A O60341 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
MAP4K4 O95819 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
TNIK Q9UKE5 1/20 0.35
SMO Q99835 1/20 0.34

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
SCHEMBL8949164 1.00 EGLN1 (0.43) EGLN1MELKUSP30KDM1AKDM4E
SCHEMBL8885573 0.80 EGLN1 (0.48) EGLN1USP30GPR119MAP4K4MINK1
SCHEMBL8885472 0.77 EGLN1 (0.38) EGLN1MELKKDM4EGPR119MAP4K4
SCHEMBL8949096 0.71 MEN1 (0.46) EGLN1KDM4EMAP4K4
SCHEMBL8949225 0.71 CASP1 (0.43) EGLN1KDM1AMAP4K4
SCHEMBL8949132 0.70 KCNH2 (0.43) EGLN1USP30KDM1AKDM4EGPR119
SCHEMBL8949110 0.70 FASN (0.41) EGLN1KDM1A
SCHEMBL8949356 0.69 TMPRSS15 (0.43) EGLN1
SCHEMBL8949363 0.69 TMPRSS15 (0.43) EGLN1
SCHEMBL8948982 0.68 EGLN1 (0.38) EGLN1MELKKDM4EGPR119

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563268-A FOR PREVENTING CELL AGGLOMERATION, TREATING THROMBOSIS, ARTERIOSCLEROSIS, BRAIN, LUNG OR CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-10-08 US disclosed
US-5418233-A FOR INHIBITING CELL AGGREGATION KARL THOMAE GMBH (DE) 1995-05-23 US disclosed
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP disclosed