SCHEMBL9256883

SCHEMBL9256883

CCOC(=O)OC(C)OC(=O)CCc1ccc(-c2nc(-c3ccc(C(=N)NC(=O)OCc4ccccc4)cc3)cn2C)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
MASP2 O00187 3/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
NAMPT P43490 2/20 0.33
CASP1 P29466 2/20 0.33
ATM Q13315 1/20 0.32
TP53 P04637 1/20 0.32
MAP3K5 Q99683 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL9257665 0.89 EDNRB (0.36) KDM4EALDH1A1HPGDMASP2MEN1
SCHEMBL9247334 0.86 PTGDR2 (0.40) MASP2CASP1
SCHEMBL9255728 0.85 KDM4E (0.37) KDM4EALDH1A1HPGDMASP2MEN1
SCHEMBL9255799 0.84 F10 (0.41) ALDH1A1NPC1LMNAMAPTRAB9A
SCHEMBL9255100 0.83 KDM4E (0.36) KDM4EALDH1A1HPGDMASP2MEN1
SCHEMBL9256887 0.81 ALDH1A1 (0.37) KDM4EALDH1A1HPGDNPC1LMNA
SCHEMBL9253096 0.81 TDP1 (0.40) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL9257621 0.79 PDK1 (0.36) MASP2MAP3K5
SCHEMBL9250731 0.79 HRH3 (0.34) ALDH1A1HPGDNPC1LMNAMAPT
SCHEMBL9257104 0.79 HRH3 (0.39) ALDH1A1HPGDNPC1LMNAMAPT

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