SCHEMBL19204837

SCHEMBL19204837

Fc1cc(Cl)cc2c(I)nn(C3CCCCO3)c12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.38
CYP4A11 Q02928 3/20 0.38
LMNA P02545 2/20 0.34
ESR1 P03372 1/20 0.34
MAPT P10636 1/20 0.34
RET P07949 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.32
ACVRL1 P37023 1/20 0.31
ACVR1 Q04771 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
HTR2C P28335 3/20 0.30
SLC6A4 P31645 3/20 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
SCHEMBL19250639 0.86 CYP4F2 (0.38) CYP4F2CYP4A11LMNAESR1MAPT
SCHEMBL26926725 0.85 CYP4F2 (0.38) CYP4F2CYP4A11LMNAESR1MAPT
SCHEMBL19204872 0.85 CYP4F2 (0.40) CYP4F2CYP4A11LMNAESR1MAPT
SCHEMBL30673093 0.85 CYP4F2 (0.38) CYP4F2CYP4A11LMNAESR1MAPT
SCHEMBL30242675 0.85 CYP4F2 (0.47) CYP4F2CYP4A11LMNAESR1MAPT
SCHEMBL24012790 0.85 CYP4F2 (0.47) CYP4F2CYP4A11LMNAESR1MAPT
SCHEMBL30881833 0.84 RET (0.36) CYP4F2CYP4A11LMNARETALDH1A1
SCHEMBL19204845 0.82 CYP4F2 (0.36) CYP4F2CYP4A11LMNAESR1MAPT
SCHEMBL19204856 0.80 ESR1 (0.42) CYP4F2CYP4A11LMNAESR1MAPT
SCHEMBL19255770 0.80 CYP4F2 (0.41) CYP4F2CYP4A11LMNAESR1MAPT

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
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