SCHEMBL5761441

SCHEMBL5761441

c1csc(-c2cnc(COc3ccc(CCCCn4ccnc4)cc3)o2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HMOX1 P09601 3/20 0.47
▸ CYP11B1 P15538 2/20 0.44
▸ CYP11B2 P19099 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ NOS1 P29475 2/20 0.41
▸ ATP4A P20648 1/20 0.40
▸ ATP4B P51164 1/20 0.40

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
SCHEMBL5759372 0.97 HMOX1 (0.48) HMOX1CYP11B1CYP11B2KDM4ELMNA
SCHEMBL5760515 0.83 FFAR1 (0.59) HMOX1KDM4ELMNANPC1NFKB1
SCHEMBL5760827 0.82 HMOX1 (0.48) HMOX1CYP11B1CYP11B2KDM4ELMNA
SCHEMBL5763074 0.80 FFAR1 (0.60) HMOX1KDM4ELMNANPC1NFKB1
SCHEMBL5761248 0.80 HMOX1 (0.47) HMOX1CYP11B1CYP11B2ATP4AATP4B
SCHEMBL5760940 0.79 PPARA (0.51) HMOX1CYP11B1CYP11B2KDM4ELMNA
SCHEMBL5762941 0.79 HMOX1 (0.49) HMOX1CYP11B1CYP11B2ATP4AATP4B
SCHEMBL5761627 0.79 HMOX1 (0.51) HMOX1CYP11B1CYP11B2NOS1
SCHEMBL5761819 0.79 HMOX1 (0.47) HMOX1KDM4ELMNANOS1ATP4A
SCHEMBL5762174 0.79 ATP4A (0.52) HMOX1KDM4ELMNANOS1ATP4A

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
Send feedback