SCHEMBL9548089

SCHEMBL9548089

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
PTGS2 P35354 6/20 0.58
KDM4E B2RXH2 5/20 0.58
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
HPGD P15428 2/20 0.58
CYP1A2 P05177 1/20 0.58
GLA P06280 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.58
PTGS1 P23219 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MAPT P10636 7/20 0.56
LMNA P02545 3/20 0.56
GAA P10253 3/20 0.56
PKM P14618 1/20 0.46
RECQL P46063 2/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL9548051 0.85 ALDH1A1 (0.55) ALDH1A1PTGS2KDM4EKMT2AMEN1
SCHEMBL9547971 0.82 ALDH1A1 (0.61) ALDH1A1PTGS2KDM4EKMT2AMEN1
SCHEMBL27621014 0.80 ALDH1A1 (0.64) ALDH1A1PTGS2KDM4EKMT2AMEN1
SCHEMBL6229574 0.78 ALDH1A1 (0.62) ALDH1A1PTGS2KDM4EKMT2AMEN1
SCHEMBL5519672 0.78 PTGS2 (0.64) ALDH1A1PTGS2KDM4EKMT2AMEN1
SCHEMBL1249671 0.77 ALDH1A1 (0.60) ALDH1A1PTGS2KDM4EKMT2AMEN1
SCHEMBL9548055 0.76 MAPT (0.54) ALDH1A1PTGS2KDM4EKMT2AMEN1
SCHEMBL12468471 0.74 MEN1 (0.58) ALDH1A1KDM4EKMT2AMEN1TDP1
SCHEMBL9548039 0.74 PTGS2 (0.78) ALDH1A1PTGS2KDM4EKMT2AMEN1
SCHEMBL5909564 0.74 PTGS2 (0.59) ALDH1A1PTGS2KDM4EKMT2AMEN1

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