SCHEMBL9259285

SCHEMBL9259285

COC(=O)CCc1ccc(-c2nc(-c3ccc(C(=N)NC(=O)OC)cc3)c[nH]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.35
HDAC1 Q13547 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
IDO1 P14902 1/20 0.33
CNR2 P34972 1/20 0.33
PTPN1 P18031 2/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PTGDR Q13258 2/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGES O14684 1/20 0.32
VDR P11473 1/20 0.32
PPARD Q03181 1/20 0.32
CHEK2 O96017 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
SCHEMBL9568559 0.87 F2 (0.41) HDAC1PTGDRCHEK2F2F10
SCHEMBL9257084 0.87 F2 (0.41) HDAC1PTGDRCHEK2F2F10
Hydrochloric Acid SCHEMBL9254356 0.86 F2 (0.40) HDAC1PTGDRCHEK2F2F10
SCHEMBL9257792 0.80 CYP11B1 (0.47) HRH3HDAC1ALDH1A1KDM4ELMNA
SCHEMBL9257104 0.78 HRH3 (0.39) HRH3HDAC1ADRB2ADRB1HPGD
SCHEMBL9259290 0.76 F2 (0.38) HDAC1IDO1ALDH1A1KDM4EPTGES
Hydrochloric Acid SCHEMBL9250343 0.76 HDAC1 (0.41) HRH3HDAC1CNR2PTPN1VDR
SCHEMBL22756135 0.76 P2RY10 (0.45) LMNAL3MBTL1
Hydrochloric Acid SCHEMBL9248763 0.75 SIRT2 (0.38) HDAC1CNR2ALDH1A1PTGDRLMNA
SCHEMBL9258085 0.74 TMPRSS15 (0.39) HPGDALDH1A1KDM4EF2F10

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
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP claimed
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