SCHEMBL9257625

SCHEMBL9257625

CCOC(=O)OC(C)OC(=O)CCc1cn(-c2ccc(-c3ccc(C(=O)OCc4ccccc4)cc3C(=N)N)nn2)cn1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
PDK1 Q15118 1/20 0.32
POLB P06746 1/20 0.32
JMJD6 Q6NYC1 1/20 0.31
F2 P00734 2/20 0.31
F10 P00742 2/20 0.31
PRSS1 P07477 2/20 0.31
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL9254357 0.84 JMJD6 (0.34) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9255073 0.84 PIK3CA (0.32) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9257621 0.81 PDK1 (0.36) PDK1
SCHEMBL9254692 0.81 F10 (0.34) MAPTPDK1F2F10PRSS1
SCHEMBL9259289 0.81 NPC1 (0.31) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9256887 0.79 ALDH1A1 (0.37) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9259497 0.78 KDM5A (0.35) MAPTALDH1A1F2F10PRSS1
SCHEMBL9251805 0.72 PDK1 (0.33) PDK1
SCHEMBL9254271 0.70 SYK (0.33) F2F10PRSS1
SCHEMBL9257668 0.70 KDM4E (0.36) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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