SCHEMBL8903759

SCHEMBL8903759

CCCCCCCCOc1ccc(-c2ccc(OC(=O)C3CCC(CCCCC)CC3)cc2)nc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PTPN11 Q06124 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
S1PR5 Q9H228 1/20 0.34
MAPT P10636 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
SYK P43405 1/20 0.33

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
SCHEMBL8903747 1.00 RARB (0.35) RARBSMN1; SMN2PTPN11NFKB1NFKB2
SCHEMBL8507286 0.93 RARB (0.39) RARBSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL8507282 0.93 RARB (0.39) RARBSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL8902962 0.87 CNR2 (0.38) SMN1; SMN2CNR2CNR1HTTMAPT
SCHEMBL8902970 0.87 CNR2 (0.38) SMN1; SMN2CNR2CNR1HTTMAPT
SCHEMBL8291242 0.86 NPC1 (0.39) RARBSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL9640876 0.84 RARB (0.43) RARBPTPN11CNR2CNR1S1PR5
SCHEMBL9640884 0.84 RARB (0.43) RARBPTPN11CNR2CNR1S1PR5
SCHEMBL9618828 0.84 KDM4E (0.47) RARBSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL9618826 0.84 KDM4E (0.47) RARBSMN1; SMN2NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5630962-A 2-Fluoropyridines, their preparation and their use in liquid crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-20 US disclosed