SCHEMBL29044238

SCHEMBL29044238

COc1cc(N)ccc1-c1ccc(N)c(OC)c1OC.COc1cc(N)ccc1-c1ccc(N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 5/20 0.45
▸ TSHR P16473 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ FYN P06241 1/20 0.42
▸ IMPDH2 P12268 1/20 0.41
▸ IMPDH1 P20839 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ DAPK3 O43293 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ RET P07949 1/20 0.40
▸ MET P08581 1/20 0.40
▸ PIM1 P11309 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
SCHEMBL29046162 0.95 CHEK1 (0.46) CHEK1TSHRALDH1A1CYP3A4HSD17B10
SCHEMBL3791216 0.85 MAPT (0.52) CHEK1TSHRALDH1A1CYP3A4HSD17B10
SCHEMBL1119491 0.84 TDP1 (0.41) CHEK1TSHRALDH1A1CYP3A4HSD17B10
Hydrochloric Acid SCHEMBL27791573 0.82 TDP1 (0.43) CHEK1TSHRALDH1A1CYP3A4HSD17B10
Hydrochloric Acid SCHEMBL10604762 0.82 TDP1 (0.43) CHEK1TSHRALDH1A1CYP3A4HSD17B10
SCHEMBL30839805 0.80 IMPDH2 (0.44) CHEK1TSHRALDH1A1CYP3A4TDP1
SCHEMBL27186014 0.80 IMPDH2 (0.44) CHEK1TSHRALDH1A1CYP3A4TDP1
SCHEMBL29466928 0.79 ALDH1A1 (0.66) CHEK1TSHRALDH1A1CYP3A4HSD17B10
SCHEMBL347390 0.78 MAPT (0.59) CHEK1TSHRALDH1A1CYP3A4HSD17B10
SCHEMBL30839714 0.78 MAPT (0.59) CHEK1TSHRALDH1A1CYP3A4HSD17B10

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
CN-117903684-A Polyamic acid varnish PI尖端素材株式会社 2024-04-19 — — CN disclosed
CN-113166453-B Graphite sheet prepared from polyimide film having excellent orientation properties and preparation method thereof 聚酰亚胺先端材料有限公司 2023-10-20 — — CN disclosed
CN-112399984-B Polyimide film containing clay particles and carbon black and preparation method thereof 聚酰亚胺先端材料有限公司 2023-08-04 — — CN disclosed
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