SCHEMBL15977253

SCHEMBL15977253

O=c1cc(OS(=O)(=O)C(F)(F)F)cnn1C1CCCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP4F2 P78329 3/20 0.33
▸ CYP4A11 Q02928 3/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ DRD2 P14416 4/20 0.32
▸ DRD3 P35462 4/20 0.32
▸ DRD1 P21728 3/20 0.32
▸ DRD4 P21917 3/20 0.32
▸ DRD5 P21918 3/20 0.32
▸ HTR1D P28221 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31

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
SCHEMBL3475925 0.96 ALDH1A1 (0.40) LMNAALDH1A1POLBCYP4F2CYP4A11
SCHEMBL8740164 0.76 ALDH1A1 (0.45) LMNAALDH1A1POLBCYP4F2CYP4A11
SCHEMBL26019884 0.74 ALDH1A1 (0.38) LMNAALDH1A1POLBCYP4F2CYP4A11
SCHEMBL31348347 0.71 CYP4F2 (0.37) LMNAALDH1A1POLBCYP4F2CYP4A11
SCHEMBL1009291 0.71 CYP4F2 (0.43) LMNAALDH1A1POLBCYP4F2CYP4A11
SCHEMBL1366880 0.71 CYP4F2 (0.51) ALDH1A1CYP4F2CYP4A11RXRARXRB
SCHEMBL4046867 0.71 CYP4F2 (0.45) CYP4F2CYP4A11
SCHEMBL158142 0.71 CYP4F2 (0.45) CYP4F2CYP4A11
SCHEMBL989607 0.70 MCHR1 (0.46) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31299364 0.70 RXRA (0.36) LMNAALDH1A1POLBCYP4F2CYP4A11

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
EP-2476680-B1 (1-Azinone)-Substituted Pyridoindoles ALBANY MOLECULAR RES INC (US) 2014-08-27 — — EP disclosed
Send feedback