SCHEMBL5756471

SCHEMBL5756471

OCCCc1nc(COc2ccc(CCCn3ccnc3)cc2)co1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 3/20 0.48
CYP19A1 P11511 1/20 0.46
TBXAS1 P24557 2/20 0.45
NOS1 P29475 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 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
SCHEMBL5758029 0.88 HMOX1 (0.59) HMOX1CYP19A1TBXAS1
SCHEMBL5762170 0.85 HMOX1 (0.58) HMOX1CYP19A1TBXAS1KDM4E
SCHEMBL5756734 0.84 HMOX1 (0.47) HMOX1CYP19A1NOS1KDM4ELMNA
SCHEMBL5761387 0.84 TBXAS1 (0.52) HMOX1TBXAS1KDM4ELMNA
SCHEMBL5757703 0.83 HMOX1 (0.53) HMOX1CYP19A1TBXAS1
SCHEMBL5760394 0.82 HMOX1 (0.47) HMOX1CYP19A1NOS1KDM4ELMNA
SCHEMBL5758931 0.81 FFAR1 (0.50) HMOX1CYP19A1TBXAS1NOS1KDM4E
SCHEMBL5761385 0.81 HMOX1 (0.49) HMOX1CYP19A1TBXAS1NOS1KDM4E
SCHEMBL5761313 0.81 HMOX1 (0.48) HMOX1CYP19A1KDM4ELMNA
SCHEMBL5758954 0.80 FFAR1 (0.51) HMOX1CYP19A1TBXAS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270571-B1 Heterocyclic compounds, their production and use TAKEDA PHARMACEUTICAL (JP) 2006-09-06 EP disclosed
EP-1270571-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 EP disclosed
US-6211215-B1 AROMATIC HETEROCYCLIC COMPOUND WITH AZOLE COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-03 US disclosed