SCHEMBL8316092

SCHEMBL8316092

COc1ccc2oc(-c3csc(C(C)(C)C)n3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 5/20 0.50
APP P05067 4/20 0.49
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGES O14684 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42

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
SCHEMBL8696641 0.85 F2RL3 (0.53) F2RL3APPMAPTSMN1; SMN2KDM4E
Bromide SCHEMBL8314377 0.80 ESR1 (0.48) F2RL3APPMAPTSMN1; SMN2KDM4E
SCHEMBL8314988 0.78 F2RL3 (0.41) F2RL3MAPTSMN1; SMN2KDM4ENPC1
SCHEMBL8310999 0.78 KDM4E (0.50) F2RL3APPMAPTSMN1; SMN2KDM4E
SCHEMBL8314504 0.76 RAB9A (0.70) F2RL3APPMAPTSMN1; SMN2KDM4E
SCHEMBL12293318 0.74 RAB9A (0.63) MAPTSMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL19625330 0.74 CYP1A1 (0.69) MAPTSMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL19625326 0.74 KMT2A (0.57) MAPTSMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL8312888 0.73 MAPT (0.56) APPMAPTSMN1; SMN2KDM4ENPC1
SCHEMBL10220288 0.72 CYP19A1 (0.59) MAPTSMN1; SMN2NPC1ALDH1A1HPGD

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
EP-0528337-B1 New thiazolylbenzofuran derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1999-10-20 EP disclosed
US-5296495-A Antiallergens, antiinflammatory FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-03-22 US disclosed
EP-0528337-A1 New thiazolylbenzofuran derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-24 EP disclosed