SCHEMBL19255770

SCHEMBL19255770

Fc1cncc2c(I)nn(C3CCCCO3)c12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.41
CYP4A11 Q02928 3/20 0.41
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
ESR1 P03372 1/20 0.36
MAPT P10636 1/20 0.36
ACVRL1 P37023 1/20 0.35
ACVR1 Q04771 1/20 0.35
GAA P10253 1/20 0.33
ATR Q13535 1/20 0.31
RET P07949 3/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30

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
SCHEMBL19249997 0.85 CYP4F2 (0.44) CYP4F2CYP4A11LMNAALDH1A1POLB
SCHEMBL19204856 0.82 ESR1 (0.42) CYP4F2CYP4A11LMNAALDH1A1POLB
SCHEMBL19250639 0.81 CYP4F2 (0.38) CYP4F2CYP4A11LMNAALDH1A1POLB
SCHEMBL26926725 0.80 CYP4F2 (0.38) CYP4F2CYP4A11LMNAALDH1A1POLB
SCHEMBL30673093 0.80 CYP4F2 (0.38) CYP4F2CYP4A11LMNAALDH1A1POLB
SCHEMBL24012790 0.80 CYP4F2 (0.47) CYP4F2CYP4A11LMNAALDH1A1POLB
SCHEMBL19204872 0.80 CYP4F2 (0.40) CYP4F2CYP4A11LMNAALDH1A1POLB
SCHEMBL19204837 0.80 CYP4F2 (0.38) CYP4F2CYP4A11LMNAALDH1A1POLB
SCHEMBL30242675 0.80 CYP4F2 (0.47) CYP4F2CYP4A11LMNAALDH1A1POLB
SCHEMBL31164351 0.79 CYP4F2 (0.37) CYP4F2CYP4A11LMNAALDH1A1POLB

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
WO-2017133670-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 WO disclosed