SCHEMBL9438281

SCHEMBL9438281

O=S(=O)(O)c1ccc2c3nc4nc(nc5[nH]c(nc6nc(nc([nH]3)c2c1Oc1ccccc1)-c1cccc(Oc2ccccc2)c1-6)c1cccc(Oc2ccccc2)c51)-c1cccc(Oc2ccccc2)c1-4

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ RORC P51449 1/20 0.32
▸ EGLN1 Q9GZT9 2/20 0.31
▸ BRAF P15056 1/20 0.30
▸ MMP13 P45452 1/20 0.30

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
SCHEMBL9360833 0.91 RORC (0.32) RORCBRAF
SCHEMBL9360821 0.85 BRD4 (0.33) KMT2ARORCEGLN1BRAFMMP13
SCHEMBL633608 0.85 BRD4 (0.34) MEN1KMT2ATDP1EGLN1MMP13
Hydrochloric Acid SCHEMBL3136757 0.83 BRD4 (0.33) MEN1KMT2ATDP1EGLN1MMP13
SCHEMBL9359791 0.82 CDK1 (0.32) MEN1THRBAPEX1RECQLBLM
SCHEMBL9360081 0.78 MMP13 (0.36) MEN1KMT2ATDP1EGLN1MMP13
SCHEMBL7131959 0.78 BRD4 (0.36) MEN1THRBAPEX1RECQLBLM
SCHEMBL785277 0.76 LMNA (0.33) MEN1KMT2ATDP1
SCHEMBL1830339 0.73 MEN1 (0.48) MEN1THRBAPEX1RECQLBLM
SCHEMBL28567301 0.73 CAMKK2 (0.42) MEN1KMT2AEGLN1

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-0434727-A4 RED-SHIFTED PHTHALOCYANINE AND TETRABENZTRIAZAPORPHYRIN REAGENTS ULTRA DIAGNOSTIC CORP (US) 1994-08-17 — — EP disclosed
EP-0434727-A1 RED-SHIFTED PHTHALOCYANINE AND TETRABENZTRIAZAPORPHYRIN REAGENTS BRITISH TECHNOLOGY GROUP (USA) INCORPORATED (US) 1991-07-03 — — EP disclosed
WO-1990002747-A1 RED-SHIFTED PHTHALOCYANINE AND TETRABENZTRIAZAPORPHYRIN REAGENTS ULTRA DIAGNOSTICS CORPORATION (US) 1990-03-22 — — WO disclosed
Send feedback