SCHEMBL19204864

SCHEMBL19204864

Fc1cc(Cl)cc2cnn(C3CCCCO3)c12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
EGFR P00533 1/20 0.39
RET P07949 3/20 0.36
HTR3A P46098 1/20 0.35
IDH1 O75874 1/20 0.35
YTHDC1 Q96MU7 1/20 0.35
ATR Q13535 7/20 0.33
ESR1 P03372 1/20 0.33
MAPT P10636 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
SCHEMBL31539789 0.88 CYP4F2 (0.46) CYP4F2CYP4A11LMNAALDH1A1POLB
SCHEMBL19204859 0.86 CYP4F2 (0.47) CYP4F2CYP4A11LMNAALDH1A1POLB
SCHEMBL767235 0.85 CYP4F2 (0.44) CYP4F2CYP4A11LMNAALDH1A1POLB
SCHEMBL30162853 0.85 LMNA (0.48) CYP4F2CYP4A11LMNAALDH1A1POLB
SCHEMBL25073931 0.82 CYP4F2 (0.42) CYP4F2CYP4A11LMNAALDH1A1POLB
SCHEMBL806349 0.81 RXRA (0.43) CYP4F2CYP4A11LMNAALDH1A1POLB
SCHEMBL29218312 0.81 EGFR (0.45) CYP4F2CYP4A11LMNAALDH1A1POLB
SCHEMBL30162823 0.81 EGFR (0.45) CYP4F2CYP4A11LMNAALDH1A1POLB
SCHEMBL30950246 0.81 CYP4F2 (0.45) CYP4F2CYP4A11LMNAALDH1A1POLB
SCHEMBL21196196 0.81 CYP4F2 (0.45) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017133667-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA THEREOF SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 WO disclosed
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
WO-2017133667-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA THEREOF SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 WO disclosed