SCHEMBL8535870

SCHEMBL8535870

COC(=O)CC1=C(C(=O)O)C(C)(c2c(Cl)cccc2Cl)C(C(=O)O)=C(CSc2ccccc2)N1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
PPARG P37231 3/20 0.32
PPARA Q07869 3/20 0.32
EGFR P00533 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
DRD2 P14416 1/20 0.32
TBXA2R P21731 1/20 0.32
TP53 P04637 2/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL6152588 0.77 P2RX7 (0.32) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL6152831 0.75 HRH1 (0.35) KDM4E
SCHEMBL7252522 0.72 SLC16A3 (0.34)
SCHEMBL6152550 0.72 TDP1 (0.31) TDP1
SCHEMBL6152317 0.72 KDM4E (0.34) KMT2AMEN1POLBLMNAALDH1A1
SCHEMBL7240668 0.71 HRH1 (0.34) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL6151956 0.71
SCHEMBL7491122 0.68 MEN1 (0.35) KMT2AMEN1HPGDSMN1; SMN2L3MBTL1
SCHEMBL4756140 0.66 CRHBP (0.35) KMT2AMEN1HPGDSMN1; SMN2NPC1
SCHEMBL8049659 0.66 CYP2C9 (0.44) KMT2AMEN1HPGDLMNAALDH1A1

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
EP-0882044-A1 1,4-DIHYDROPYRIDINE COMPOUNDS AS BRADYKININ ANTAGONISTS PFIZER INC. (US) 1998-12-09 EP disclosed
WO-1997030048-A1 1,4-DIHYDROPYRIDINE COMPOUNDS AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1997-08-21 WO disclosed