SCHEMBL8314602

SCHEMBL8314602

COc1ccc(OCC#N)c(C=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 7/20 0.50
ERN1 O75460 1/20 0.49
TUBB1 Q9H4B7 1/20 0.48
LMNA P02545 3/20 0.46
TRIM24 O15164 1/20 0.45
TYR P14679 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
JUN P05412 1/20 0.41
NFKB1 P19838 1/20 0.41
NFE2L2 Q16236 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C19 P33261 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
SCHEMBL7817452 0.88 ALDH1A1 (0.63) KDM4EALDH1A1ERN1LMNATRIM24
SCHEMBL28246306 0.88 KDM4E (0.53) KDM4ERAB9AALDH1A1ERN1TUBB1
SCHEMBL28342817 0.81 ALDH1A1 (0.44) KDM4EALDH1A1ERN1LMNAMAPT
SCHEMBL20488634 0.81 KDM4E (0.59) KDM4ERAB9AALDH1A1ERN1TUBB1
SCHEMBL3221472 0.80 BACE1 (0.58) KDM4ERAB9AALDH1A1ERN1TUBB1
SCHEMBL28676135 0.80 ALDH1A1 (0.54) KDM4ERAB9AALDH1A1ERN1TUBB1
SCHEMBL27500190 0.80 KDM4E (0.58) KDM4ERAB9AALDH1A1ERN1TUBB1
SCHEMBL8726445 0.79 CA12 (0.59) ALDH1A1LMNANFE2L2CYP1A2CYP1A1
SCHEMBL29953783 0.79 RAB9A (0.64) KDM4ERAB9AALDH1A1ERN1TUBB1
SCHEMBL10733770 0.79 ALDH1A1 (0.63) KDM4ERAB9AALDH1A1ERN1TUBB1

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