SCHEMBL10523969

SCHEMBL10523969

CC(=O)Oc1ccc(C2=C3C=CC(=N3)C(c3ccc(OC(C)=O)cc3)=C3C=CC(=N3)C(c3ccc(OC(C)=O)cc3)=C3C=CC(=N3)C(c3ccc(OC(C)=O)cc3)=C3C=CC2=N3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.47
▸ LMNA P02545 4/20 0.46
▸ PTGS2 P35354 2/20 0.43
▸ MAPT P10636 4/20 0.42
▸ PKM P14618 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ ELANE P08246 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ TP53 P04637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL7262349 0.81 ELANE (0.51) HSD17B10LMNAPTGS2MAPTPKM
SCHEMBL8181798 0.77 ELANE (0.39) PTGS2MAPTPKMPOLBELANE
SCHEMBL15523219 0.75 ALOX15 (0.47) MAPTTSHRSMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL15769036 0.75 ME2 (0.41) MAPTPKMRAB9ASMN1; SMN2ALDH1A1
SCHEMBL4410281 0.74 ESR2 (0.56) MAPTPKMPOLBGAARAB9A
SCHEMBL10568742 0.74 SMN1; SMN2 (0.56) HSD17B10PTGS2MAPTPOLBGAA
SCHEMBL329365 0.74 HSD17B10 (0.76) HSD17B10LMNAPTGS2MAPTPKM
SCHEMBL9158246 0.74 HSD17B10 (0.76) HSD17B10LMNAPTGS2MAPTPKM
Water SCHEMBL9344643 0.72 HSD17B10 (0.73) HSD17B10LMNAPTGS2MAPTPKM
SCHEMBL269329 0.72 LMNA (0.80) HSD17B10LMNAMAPTPKMPOLB

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
US-4837221-A ADMINISTERING PORPHYRIN DERIVATIVE TO LOCATE TUMOR, ILLUMINATING WITH LIGHT EFAMOL LTD. (GB) 1989-06-06 — — US disclosed
EP-0186962-B1 PORPHYRINS AND CANCER TREATMENT EFAMOL LIMITED (GB) 1989-04-12 — — EP disclosed
EP-0186962-A1 Porphyrins and cancer treatment EFAMOL LIMITED (GB) 1986-07-09 — — EP disclosed
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