SCHEMBL5229902

SCHEMBL5229902

O=C(Cc1cc(F)cc(F)c1)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@@H]1C(=O)Nc2ccccc2S[C@@H]1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.39
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ESR1 P03372 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
PTPN7 P35236 1/20 0.37
RECQL P46063 1/20 0.37
ESR2 Q92731 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADAMTS4 O75173 1/20 0.36
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35

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
SCHEMBL3340929 0.85 HSD17B10 (0.42) KDM4EUSP2ESR1POLBTHRB
SCHEMBL3342434 0.84 PSEN1 (0.50) KDM4EUSP2ESR1POLBTHRB
SCHEMBL3344471 0.84 HSD17B10 (0.41) KDM4EUSP2ESR1POLBTHRB
SCHEMBL3340581 0.83 PSEN1 (0.46) KDM4EUSP2ESR1POLBTHRB
SCHEMBL3343570 0.82 KDM4E (0.39) KDM4EUSP2ESR1POLBTHRB
SCHEMBL3344119 0.81 PSEN1 (0.46) KDM4EUSP2ESR1POLBTHRB
SCHEMBL3343225 0.79 PSEN1 (0.46) KDM4EUSP2ESR1POLBTHRB
SCHEMBL3345093 0.79 PSEN1 (0.47) KDM4EUSP2ESR1POLBTHRB
SCHEMBL3343883 0.78 PSEN1 (0.45) KDM4EUSP2ESR1POLBTHRB
SCHEMBL3342650 0.78 HSD17B10 (0.46) KDM4EUSP2ESR1POLBTHRB

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-1845089-A1 Novel lactams and uses thereof AstraZeneca AB (SE) 2007-10-17 EP disclosed