SCHEMBL9359791

SCHEMBL9359791

O=S(=O)([O-])c1c(O)cc2c3nc4nc(nc5[nH]c(nc6nc(nc([nH]3)c2c1Oc1ccccc1)-c1cccc(Oc2ccccc2)c1-6)c1cccc(Oc2ccccc2)c51)-c1cccc(Oc2ccccc2)c1-4.O=S(=O)([O-])c1c(O)cc2c3nc4nc(nc5[nH]c(nc6nc(nc([nH]3)c2c1Oc1ccccc1)-c1cccc(Oc2ccccc2)c1-6)c1cccc(Oc2ccccc2)c51)-c1cccc(Oc2ccccc2)c1-4.O=S(=O)([O-])c1c(O)cc2c3nc4nc(nc5[nH]c(nc6nc(nc([nH]3)c2c1Oc1ccccc1)-c1cccc(Oc2ccccc2)c1-6)c1cccc(Oc2ccccc2)c51)-c1cccc(Oc2ccccc2)c1-4.[Al+3]

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ F2 P00734 2/20 0.31
▸ F10 P00742 2/20 0.31
▸ PLG P00747 2/20 0.31
▸ PLAU P00749 2/20 0.31
▸ PLAT P00750 2/20 0.31
▸ EGLN1 Q9GZT9 2/20 0.31
▸ THRB P10828 2/20 0.31
▸ RECQL P46063 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ P2RY2 P41231 1/20 0.30
▸ P2RY6 Q15077 1/20 0.30
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ APEX1 P27695 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
SCHEMBL9360821 0.82 BRD4 (0.33) CDK1CDK2F2F10PLG
SCHEMBL9438281 0.82 MEN1 (0.34) EGLN1THRBRECQLTDP1MEN1
SCHEMBL633608 0.82 BRD4 (0.34) F2F10PLGPLAUPLAT
SCHEMBL9360833 0.80 RORC (0.32) —
Hydrochloric Acid SCHEMBL3136757 0.80 BRD4 (0.33) F2F10PLGPLAUPLAT
SCHEMBL9360081 0.74 MMP13 (0.36) EGLN1TDP1MEN1KMT2ARXFP1
SCHEMBL7131959 0.74 BRD4 (0.36) F2F10PLGPLAUPLAT
SCHEMBL785277 0.73 LMNA (0.33) CDK1CDK2TDP1POLBMAPT
SCHEMBL7587075 0.72 THRB (0.44) EGLN1THRBRECQLTDP1MEN1
SCHEMBL28567301 0.70 CAMKK2 (0.42) EGLN1POLBSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5346670-A Phthalocyanine and tetrabenztriazaporphyrin reagents BRITISH TECHNOLOGY GROUP U.S.A. INC. (US) 1994-09-13 — — US disclosed
EP-0434727-A4 RED-SHIFTED PHTHALOCYANINE AND TETRABENZTRIAZAPORPHYRIN REAGENTS ULTRA DIAGNOSTIC CORP (US) 1994-08-17 — — EP disclosed
US-5135717-A Imaging therapy BRITISH TECHNOLOGY GROUP USA INC. (US) 1992-08-04 — — US 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
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