SCHEMBL9255073

SCHEMBL9255073

CCOC(=O)CCc1cn(-c2ccc(-c3ccc(C(=O)OCC)cc3C(=N)N)nn2)cn1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.32
MAPT P10636 4/20 0.32
USP2 O75604 1/20 0.32
F10 P00742 5/20 0.31
F2 P00734 1/20 0.31
JMJD6 Q6NYC1 3/20 0.31
ALDH1A1 P00352 3/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 3/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
NOTUM Q6P988 1/20 0.30

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
SCHEMBL9259497 0.88 KDM5A (0.35) MAPTF10F2ALDH1A1KDM4E
SCHEMBL9257625 0.84 MAPT (0.33) MAPTF10F2JMJD6ALDH1A1
SCHEMBL9254094 0.83 F2 (0.37) MAPTUSP2F10F2TSHR
SCHEMBL9254357 0.83 JMJD6 (0.34) MAPTJMJD6ALDH1A1SMN1; SMN2LMNA
SCHEMBL9255214 0.83 CYP46A1 (0.33) MAPTHSD17B10
SCHEMBL9251805 0.80 PDK1 (0.33)
SCHEMBL9254271 0.79 SYK (0.33) F10F2
SCHEMBL9258452 0.78 PRSS1 (0.36) F10F2NPC1RAB9A
SCHEMBL9252815 0.77 TMPRSS15 (0.39) F10F2
SCHEMBL9257720 0.76 ITGB3 (0.33) F10F2CYP2C19

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-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed