SCHEMBL19620609

SCHEMBL19620609

NC1=C(OSCc2ccc(F)cc2)C(=O)C(c2ccc(Cl)cc2)O1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 8/20 0.38
ADK P55263 4/20 0.35
MAPT P10636 2/20 0.34
THRB P10828 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
GSK3B P49841 1/20 0.33
FADS1 O60427 1/20 0.32
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
TBXA2R P21731 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
SCHEMBL19620490 0.94 ADK (0.38) ADKMAPTKDM4EPOLBRAB9A
SCHEMBL19620607 0.90 KDM4E (0.33) MDM2ADKMAPTKDM4EPOLB
SCHEMBL19620522 0.90 KDM4E (0.42) MDM2ADKMAPTKDM4EPOLB
SCHEMBL19620542 0.90 POLB (0.42) ADKMAPTKDM4EPOLBGSK3B
SCHEMBL19620642 0.89 ADK (0.38) ADKMAPTKDM4EPOLB
SCHEMBL19620605 0.89 CNR1 (0.35) MDM2ADKMAPTKDM4EPOLB
SCHEMBL19620548 0.89 MEN1 (0.40) ADKMAPTKDM4EPOLBTP53
SCHEMBL19620634 0.88 MDM2 (0.35) MDM2MAPTKDM4EPOLBRAB9A
SCHEMBL19620342 0.86 MDM2 (0.36) MDM2ADKMAPTKDM4EPOLB
SCHEMBL19620660 0.86 PSEN1 (0.35) MAPTKDM4EPOLBFADS1

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-2897607-B1 INHIBITORS OF BETA-HYDROLASE FOR TREATMENT OF CANCER RHODE ISLAND HOSPITAL (US) 2017-11-22 EP disclosed