SCHEMBL9548091

SCHEMBL9548091

COc1ccc(-c2nc(C(=O)N3CCOCC3)sc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.77
PTGS2 P35354 5/20 0.77
KDM4E B2RXH2 4/20 0.77
HPGD P15428 4/20 0.77
KMT2A Q03164 3/20 0.77
MEN1 O00255 2/20 0.77
HSD17B10 Q99714 2/20 0.77
CYP1A2 P05177 1/20 0.77
GLA P06280 1/20 0.77
CYP3A4 P08684 1/20 0.77
CYP2C9 P11712 1/20 0.77
TSHR P16473 1/20 0.77
PTGS1 P23219 1/20 0.77
TDP1 Q9NUW8 1/20 0.77
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
GAA P10253 2/20 0.49
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
POLB P06746 2/20 0.47

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
Fr-122047 SCHEMBL9548128 0.87 PTGS2 (1.00) ALDH1A1PTGS2KDM4EHPGDKMT2A
SCHEMBL9548056 0.87 ALDH1A1 (0.82) ALDH1A1PTGS2KDM4EHPGDKMT2A
SCHEMBL9548039 0.87 PTGS2 (0.78) ALDH1A1PTGS2KDM4EHPGDKMT2A
Fr-122047 SCHEMBL9548002 0.86 PTGS2 (0.98) ALDH1A1PTGS2KDM4EHPGDKMT2A
SCHEMBL9548105 0.86 PTGS2 (0.77) ALDH1A1PTGS2KDM4EHPGDKMT2A
Hydrochloric Acid SCHEMBL9547994 0.85 PTGS2 (0.75) ALDH1A1PTGS2KDM4EHPGDKMT2A
SCHEMBL9548082 0.85 PTGS2 (0.79) ALDH1A1PTGS2KDM4EHPGDKMT2A
Fr-122047 SCHEMBL15531779 0.85 PTGS2 (0.95) ALDH1A1PTGS2KDM4EHPGDKMT2A
SCHEMBL9548044 0.83 PTGS2 (0.72) ALDH1A1PTGS2KDM4EHPGDKMT2A
SCHEMBL9548040 0.81 PTGS2 (0.72) ALDH1A1PTGS2KDM4EHPGDKMT2A

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-5217971-A Anticoagulants, hypotensive agents, antiallergens and antiinflammatory agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-08 US disclosed
EP-0377457-A1 Thiazole compounds, processes for the preparation thereof, and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-07-11 EP disclosed