SCHEMBL9452014

SCHEMBL9452014

COc1ccc(-c2nc(C(N)C(=O)c3nc4cnccc4[nH]3)sc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 4/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
PTGS2 P35354 3/20 0.38
PDE10A Q9Y233 1/20 0.38
PIP4K2A P48426 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
PTGS1 P23219 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PPARG P37231 1/20 0.36

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 SCHEMBL9451973 0.77 NPC1 (0.48) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL9452018 0.77 ROCK2 (0.44) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL9451906 0.70 MAPT (0.44) MAPTALDH1A1KDM4ELMNAGAA
Hydrochloric Acid SCHEMBL9452019 0.70 CYP1A1 (0.51) MAPTALDH1A1KDM4ELMNAGAA
Hydrochloric Acid SCHEMBL10449029 0.70 CYP1A1 (0.51) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL9451909 0.69 ALDH1A1 (0.41) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL9452013 0.69 PTGS2 (0.53) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL11562896 0.68 ALDH1A1 (0.58) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL9664437 0.67 MAPT (0.43) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL7279680 0.67 ALDH1A1 (0.66) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5229386-A Anticoagulants, hypotensive agents, antiallergens, antiinflammatory agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-20 US disclosed
US-5145860-A Anticoagulants, vasodilators, antiinflammatory, antiallergens, enzyme inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-09-08 US disclosed
EP-0388909-A2 Thiazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-09-26 EP disclosed