SCHEMBL27914523

SCHEMBL27914523

CCOc1ccc(-c2cc3cc4nc(cc5ccc(cc6nc(cc2[nH]3)C=C6)[nH]5)C=C4)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MPI P34949 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ CHEK2 O96017 1/20 0.40
▸ TP53 P04637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 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
SCHEMBL28436254 0.87 HPGD (0.41) ALDH1A1SMN1; SMN2KDM4EHPGDRAB9A
SCHEMBL28493239 0.87 HPGD (0.41) ALDH1A1SMN1; SMN2KDM4EHPGDRAB9A
SCHEMBL8003382 0.84 NPC1 (0.40) ALDH1A1SMN1; SMN2KDM4EHPGDRAB9A
SCHEMBL28249687 0.84 NPC1 (0.40) ALDH1A1SMN1; SMN2KDM4EHPGDRAB9A
SCHEMBL28098901 0.84 NPC1 (0.40) ALDH1A1SMN1; SMN2KDM4EHPGDRAB9A
SCHEMBL28442526 0.84 NPC1 (0.40) ALDH1A1SMN1; SMN2KDM4EHPGDRAB9A
SCHEMBL28843869 0.84 NPC1 (0.40) ALDH1A1SMN1; SMN2KDM4EHPGDRAB9A
SCHEMBL27910482 0.84 NPC1 (0.40) ALDH1A1SMN1; SMN2KDM4EHPGDRAB9A
SCHEMBL27968431 0.84 NPC1 (0.40) ALDH1A1SMN1; SMN2KDM4EHPGDRAB9A
Hydrochloric Acid SCHEMBL29089406 0.83 AURKA (0.39) ALDH1A1SMN1; SMN2KDM4EHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103239718-B Method for preparing adriamycin-loaded polycaprolactone-block-polyethylene glycol nano microspheres UNIV JIANGSU 2015-02-04 — — CN disclosed
CN-103239718-A Method for preparing adriamycin-loaded polycaprolactone-block-polyethylene glycol nano microspheres UNIV JIANGSU 2013-08-14 — — CN disclosed
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