SCHEMBL28755100

SCHEMBL28755100

Cc1cccc(C)c1-c1cc2cc3nc(cc4ccc(cc5nc(cc1[nH]2)C=C5)[nH]4)C=C3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.40
▸ STAT1 P42224 1/20 0.40
▸ ESR1 P03372 1/20 0.35
▸ MGAM O43451 11/20 0.33
▸ GAA P10253 11/20 0.33
▸ SI P14410 11/20 0.33
▸ MGAM2 Q2M2H8 11/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ DHODH Q02127 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ GRIA1 P42261 1/20 0.32
▸ CACNG8 Q8WXS5 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ F10 P00742 1/20 0.32

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
SCHEMBL28755316 0.89 RPS6KA3 (0.36) STAT3STAT1GAAALDH1A1HPGD
SCHEMBL30086961 0.88 STAT3 (0.37) STAT3STAT1
SCHEMBL5057767 0.88 STAT3 (0.37) STAT3STAT1
Hydrochloric Acid SCHEMBL29217830 0.87 STAT3 (0.36) STAT3STAT1
SCHEMBL29088651 0.87 STAT3 (0.36) STAT3STAT1
SCHEMBL5487566 0.85 NPC1 (0.42) STAT3STAT1ESR1MGAMGAA
SCHEMBL29489411 0.82 STAT3 (0.40) STAT3STAT1MGAMGAASI
SCHEMBL5013620 0.82 STAT3 (0.40) STAT3STAT1MGAMGAASI
SCHEMBL28547477 0.82 STAT3 (0.40) STAT3STAT1MGAMGAASI
SCHEMBL27609062 0.82 STAT3 (0.40) STAT3STAT1MGAMGAASI

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-114573826-B Two-dimensional metal organic framework based on isocyano coordination, preparation method and application 上海交通大学 2022-12-27 — — CN disclosed
CN-114573826-A Two-dimensional metal organic framework based on isocyano coordination, preparation method and application 上海交通大学 2022-06-03 — — CN disclosed
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