SCHEMBL8852028

SCHEMBL8852028

CCOC(=O)c1cn(C2CC2)c2c(F)c(N3CCN(C)CC3)c(F)c([Si](C)(C)C)c2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.43
ADRB2 P07550 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
MAPK1 P28482 2/20 0.41
KCNH2 Q12809 2/20 0.41
CACNA1F O60840 1/20 0.41
POLB P06746 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
TOP2A P11388 2/20 0.40
TOP2B Q02880 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK10 P53779 1/20 0.38
HTT P42858 2/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL8852491 0.87 STAT3 (0.44) STAT3ADRB2MEN1KMT2ATSHR
SCHEMBL8111823 0.84 STAT3 (0.45) STAT3ADRB2MEN1KMT2ATSHR
SCHEMBL8559684 0.82 STAT3 (0.43) STAT3ADRB2MEN1KMT2ATSHR
SCHEMBL7131518 0.80 ADRB2 (0.59) STAT3ADRB2MEN1KMT2AMAPK1
SCHEMBL10777266 0.79 MEN1 (0.55) STAT3ADRB2MEN1KMT2ATSHR
SCHEMBL1345146 0.78 STAT3 (0.65) STAT3ADRB2MEN1KMT2ATSHR
SCHEMBL9211190 0.78 STAT3 (0.52) STAT3ADRB2MEN1KMT2ATSHR
SCHEMBL10572110 0.78 KCNH2 (0.60) ADRB2MEN1KMT2AMAPK1KCNH2
SCHEMBL10920186 0.76 ALDH1A1 (0.58) ADRB2MEN1KMT2AMAPK1KCNH2
SCHEMBL10571665 0.76 ADRB2 (0.53) ADRB2MEN1KMT2AMAPK1KCNH2

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-5659038-A GRAMPOSITIVE/GRAMNEGATIVE MICROBIOCIDES; ANTISEPTICS, HUMAN AND VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 1997-08-19 US disclosed
US-5578604-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-11-26 US disclosed