SCHEMBL9548055

SCHEMBL9548055

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 6/20 0.54
LMNA P02545 3/20 0.54
GAA P10253 3/20 0.54
KMT2A Q03164 5/20 0.54
PTGS2 P35354 5/20 0.54
MEN1 O00255 4/20 0.54
CYP2C9 P11712 2/20 0.54
GLA P06280 2/20 0.54
HPGD P15428 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
PTGS1 P23219 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PKM P14618 1/20 0.48
RECQL P46063 2/20 0.47
HTT P42858 1/20 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
SCHEMBL9547971 0.84 ALDH1A1 (0.61) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL6229574 0.79 ALDH1A1 (0.62) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL9548102 0.77 MAPT (0.69) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL27621014 0.76 ALDH1A1 (0.64) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL9548089 0.76 ALDH1A1 (0.58) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL5909573 0.74 CNR1 (0.64) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL5909769 0.74 CNR1 (0.64) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL5519672 0.74 PTGS2 (0.64) MAPTALDH1A1KDM4ELMNAGAA
Hydrochloric Acid SCHEMBL9547996 0.73 PTGS2 (0.50) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL1249671 0.73 ALDH1A1 (0.60) MAPTALDH1A1KDM4ELMNAGAA

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