SCHEMBL19204872

SCHEMBL19204872

Cc1cc(F)c2c(c1)c(I)nn2C1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.40
CYP4A11 Q02928 3/20 0.40
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.34
ESR1 P03372 1/20 0.34
MAPT P10636 1/20 0.34
RET P07949 5/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32
ATR Q13535 5/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL19250639 0.86 CYP4F2 (0.38) CYP4F2CYP4A11GAALMNAESR1
SCHEMBL24012790 0.85 CYP4F2 (0.47) CYP4F2CYP4A11GAALMNAESR1
SCHEMBL30242675 0.85 CYP4F2 (0.47) CYP4F2CYP4A11GAALMNAESR1
SCHEMBL26926725 0.85 CYP4F2 (0.38) CYP4F2CYP4A11GAALMNAESR1
SCHEMBL19204837 0.85 CYP4F2 (0.38) CYP4F2CYP4A11GAALMNAESR1
SCHEMBL30673093 0.85 CYP4F2 (0.38) CYP4F2CYP4A11GAALMNAESR1
SCHEMBL19204845 0.82 CYP4F2 (0.36) CYP4F2CYP4A11GAALMNAESR1
SCHEMBL26751578 0.80 CYP4F2 (0.33) CYP4F2CYP4A11GAALMNAESR1
SCHEMBL29925460 0.80 CYP4F2 (0.33) CYP4F2CYP4A11GAALMNAESR1
SCHEMBL19204856 0.80 ESR1 (0.42) CYP4F2CYP4A11GAALMNAESR1

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-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
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