SCHEMBL9548040

SCHEMBL9548040

COc1ccc(-c2nc(C(=O)N3CCN(C(=O)NC(C)C)CC3)sc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.72
ALDH1A1 P00352 4/20 0.72
CYP3A4 P08684 3/20 0.72
KDM4E B2RXH2 3/20 0.72
CYP1A2 P05177 3/20 0.72
KMT2A Q03164 3/20 0.72
TSHR P16473 2/20 0.72
MEN1 O00255 2/20 0.72
GLA P06280 1/20 0.72
CYP2C9 P11712 1/20 0.72
HPGD P15428 1/20 0.72
PTGS1 P23219 1/20 0.72
HSD17B10 Q99714 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
USP2 O75604 1/20 0.48
MAPT P10636 5/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MMP1 P03956 1/20 0.44
MMP13 P45452 1/20 0.44

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
Hydrochloric Acid SCHEMBL9548023 0.86 PTGS2 (0.65) PTGS2ALDH1A1CYP3A4KDM4ECYP1A2
Fr-122047 SCHEMBL9548128 0.84 PTGS2 (1.00) PTGS2ALDH1A1CYP3A4KDM4ECYP1A2
SCHEMBL9548056 0.84 ALDH1A1 (0.82) PTGS2ALDH1A1CYP3A4KDM4ECYP1A2
Fr-122047 SCHEMBL9548002 0.83 PTGS2 (0.98) PTGS2ALDH1A1CYP3A4KDM4ECYP1A2
Fr-122047 SCHEMBL15531779 0.82 PTGS2 (0.95) PTGS2ALDH1A1CYP3A4KDM4ECYP1A2
SCHEMBL9548039 0.82 PTGS2 (0.78) PTGS2ALDH1A1CYP3A4KDM4ECYP1A2
SCHEMBL9548091 0.81 ALDH1A1 (0.77) PTGS2ALDH1A1CYP3A4KDM4ECYP1A2
SCHEMBL9548105 0.81 PTGS2 (0.77) PTGS2ALDH1A1CYP3A4KDM4ECYP1A2
SCHEMBL9548082 0.80 PTGS2 (0.79) PTGS2ALDH1A1CYP3A4KDM4ECYP1A2
Hydrochloric Acid SCHEMBL9547994 0.80 PTGS2 (0.75) PTGS2ALDH1A1CYP3A4KDM4ECYP1A2

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