SCHEMBL6992408

SCHEMBL6992408

Cc1ccc(CCOS(C)(=O)=O)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CYP2C9 P11712 1/20 0.40
CHRM3 P20309 1/20 0.40
ALOX5 P09917 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 2/20 0.39
LMNA P02545 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
ESR2 Q92731 1/20 0.37
PKM P14618 1/20 0.36
POLB P06746 2/20 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
SCHEMBL12200065 0.81 CHRM2 (0.42) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL3173822 0.79 CA12 (0.44) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL6475097 0.73 CHRM2 (0.58) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL6992415 0.73 MEN1 (0.47) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL8571661 0.71 ALDH1A1 (0.42) MEN1KMT2AALOX5ALDH1A1KDM4E
SCHEMBL3258334 0.70 CA2 (0.50) CHRM2ALDH1A1KDM4ETSHRUSP2
SCHEMBL12746890 0.69 KDM4E (0.36) ALDH1A1KDM4ETSHRUSP2LMNA
SCHEMBL20629938 0.69 GHSR (0.40) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL18256149 0.69 KMT2A (0.41) MEN1KMT2ACYP2C9ALDH1A1KDM4E
SCHEMBL16830418 0.69 KDM4E (0.37) KMT2AALDH1A1KDM4ETSHRUSP2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588859-B1 Imidazo[1,2-a](pyrrolo, thieno or furano)[3,2-d]azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA NV (BE) 2003-08-13 EP disclosed
US-5461050-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-24 US disclosed
EP-0588859-A1 Imidazo[1,2-a](pyrrolo, thieno or furano)[3,2-d]azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA N.V. (BE) 1994-03-30 EP disclosed
WO-1992022553-A1 IMIDAZO[1,2-a](PYRROLO, THIENO OR FURANO)[3,2-d]AZEPINE DERIVATIVES, COMPOSITIONS AND METHODS OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-23 WO disclosed
EP-0518434-A1 Imidazo(1,2-a)(pyrrolo, thieno or furano)(3,2-d)azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 EP disclosed