SCHEMBL23905372

SCHEMBL23905372

COC(=O)c1cc(OC)c2ncc(F)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGDS O60760 1/20 0.45
PSMD14 O00487 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 3/20 0.40
PTPN11 Q06124 2/20 0.40
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
CNR2 P34972 1/20 0.39
HTT P42858 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 3/20 0.38
MEN1 O00255 2/20 0.38
TNF P01375 2/20 0.38
HPGD P15428 2/20 0.38
MCL1 Q07820 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NOD1 Q9Y239 2/20 0.38

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
SCHEMBL23905294 0.88 PSMD14 (0.40) KDM4EALDH1A1HPGDSPSMD14CYP3A4
SCHEMBL23195634 0.87 CA12 (0.47) HPGDSABCB1ABCC1CNR2HTT
SCHEMBL23905367 0.84 KDM4E (0.49) KDM4EALDH1A1PSMD14MAPTPTPN11
SCHEMBL23904892 0.84 KDM4E (0.46) KDM4EALDH1A1HPGDSPSMD14CYP3A4
SCHEMBL23905404 0.84 ATM (0.47) KDM4EALDH1A1HPGDSPSMD14CYP3A4
SCHEMBL23883070 0.84 KDM4E (0.46) KDM4EALDH1A1HPGDSPSMD14CYP3A4
SCHEMBL23166783 0.83 KDM4E (0.45) KDM4EALDH1A1HPGDSPSMD14CYP3A4
SCHEMBL23883090 0.83 ALDH1A1 (0.45) KDM4EALDH1A1HPGDSPSMD14CYP3A4
SCHEMBL23958665 0.82 CYP3A4 (0.43) KDM4EALDH1A1HPGDSPSMD14CYP3A4
SCHEMBL23905505 0.82 NOTUM (0.46) KDM4EALDH1A1HPGDSPSMD14CYP3A4

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-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed