SCHEMBL10519909

SCHEMBL10519909

O=C(CC(=Cc1ccccc1)C(=O)O)NCc1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ CHRNB2 P17787 1/20 0.48
▸ CHRNA4 P43681 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ P2RX7 Q99572 1/20 0.46
▸ ATM Q13315 1/20 0.45
▸ MTNR1A P48039 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ BCHE P06276 1/20 0.43

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
SCHEMBL10520133 0.77 KDM4E (0.48) KMT2AMEN1MAPTGAACYP3A4
SCHEMBL10520127 0.77 KDM4E (0.48) KMT2AMEN1MAPTGAACYP3A4
SCHEMBL4432071 0.75 KMT2A (0.65) KMT2AMEN1MAPTCHRNB2CHRNA4
SCHEMBL404391 0.75 MEN1 (0.69) KMT2AMEN1MAPTCHRNB2CHRNA4
SCHEMBL28710258 0.75 SMN1; SMN2 (0.56) KMT2AMEN1MAPTCHRNB2CHRNA4
SCHEMBL1284855 0.74 KMT2A (0.59) KMT2AMEN1MAPTCHRNB2CHRNA4
SCHEMBL27548891 0.74 KMT2A (0.59) KMT2AMEN1MAPTCHRNB2CHRNA4
SCHEMBL13073769 0.74 KMT2A (0.59) KMT2AMEN1MAPTCHRNB2CHRNA4
SCHEMBL9555456 0.74 CYP3A4 (0.53) KMT2AMEN1CYP3A4CYP2C9MTNR1A
SCHEMBL22323341 0.73 MEN1 (0.66) KMT2AMEN1MAPTCHRNB2CHRNA4

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
US-4863904-A Dipeptides as renin inhibitors KISSEI PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 — — US disclosed
EP-0181110-A2 Histidine derivatives as renin inhibitors Kissei Pharmaceutical Co. Ltd. (JP) 1986-05-14 — — EP disclosed
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