SCHEMBL9548044

SCHEMBL9548044

COc1ccc(-c2nc(C(=O)N3CC[N+](C)([O-])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
KDM4E B2RXH2 4/20 0.72
KMT2A Q03164 4/20 0.72
MEN1 O00255 3/20 0.72
CYP1A2 P05177 1/20 0.72
GLA P06280 1/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2C9 P11712 1/20 0.72
HPGD P15428 1/20 0.72
TSHR P16473 1/20 0.72
PTGS1 P23219 1/20 0.72
HSD17B10 Q99714 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
MAPT P10636 5/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
PKM P14618 1/20 0.40

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 0.84 PTGS2 (1.00) PTGS2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL9548056 0.84 ALDH1A1 (0.82) PTGS2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL9548039 0.84 PTGS2 (0.78) PTGS2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL9548091 0.83 ALDH1A1 (0.77) PTGS2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL9548105 0.83 PTGS2 (0.77) PTGS2ALDH1A1KDM4EKMT2AMEN1
Fr-122047 SCHEMBL9548002 0.83 PTGS2 (0.98) PTGS2ALDH1A1KDM4EKMT2AMEN1
Fr-122047 SCHEMBL15531779 0.82 PTGS2 (0.95) PTGS2ALDH1A1KDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL9547994 0.82 PTGS2 (0.75) PTGS2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL9548082 0.82 PTGS2 (0.79) PTGS2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL9548068 0.81 PTGS2 (0.48) PTGS2ALDH1A1KDM4EKMT2AMEN1

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