SCHEMBL30777311

SCHEMBL30777311

Cc1cc(N=Nc2ccccc2C)ccc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 1.00
▸ MAPK1 P28482 4/20 1.00
▸ CYP3A4 P08684 4/20 1.00
▸ TSHR P16473 3/20 1.00
▸ TP53 P04637 2/20 1.00
▸ SMN1; SMN2 Q16637 2/20 1.00
▸ MEN1 O00255 6/20 0.69
▸ KMT2A Q03164 6/20 0.69
▸ NPC1 O15118 5/20 0.56
▸ MAPT P10636 5/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ USP2 O75604 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ L3MBTL1 Q9Y468 4/20 0.47
▸ PKM P14618 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ GLO1 Q04760 1/20 0.46
▸ GFER P55789 1/20 0.44
▸ AHR P35869 1/20 0.42

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
SCHEMBL411206 1.00 TDP1 (1.00) TDP1MAPK1CYP3A4TSHRTP53
SCHEMBL13338328 1.00 TDP1 (1.00) TDP1MAPK1CYP3A4TSHRTP53
SCHEMBL411207 1.00 TDP1 (1.00) TDP1MAPK1CYP3A4TSHRTP53
SCHEMBL29405351 1.00 TDP1 (1.00) TDP1MAPK1CYP3A4TSHRTP53
Hydrochloric Acid SCHEMBL7536593 0.98 TDP1 (0.97) TDP1MAPK1CYP3A4TSHRTP53
Hydrochloric Acid SCHEMBL7536588 0.98 TDP1 (0.97) TDP1MAPK1CYP3A4TSHRTP53
Hydrochloric Acid SCHEMBL30387748 0.98 TDP1 (0.97) TDP1MAPK1CYP3A4TSHRTP53
SCHEMBL28129251 0.86 MAPK1 (0.76) TDP1MAPK1CYP3A4TSHRTP53
Betanaphthol SCHEMBL11484254 0.85 MAPK1 (0.72) TDP1MAPK1CYP3A4TSHRTP53
SCHEMBL11647594 0.84 TDP1 (0.71) TDP1MAPK1CYP3A4TSHRTP53

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-117510786-A Waterborne polyurethane containing two photochromic groups, preparation method thereof and application thereof in anti-counterfeiting ink 廊坊市安鼎新材料科技有限公司 2024-02-06 — — CN claimed
CN-117510786-B Waterborne polyurethane containing two photochromic groups, preparation method thereof and application thereof in anti-counterfeiting ink 廊坊市安鼎新材料科技有限公司 2024-05-14 — — CN disclosed
CN-117510786-A Waterborne polyurethane containing two photochromic groups, preparation method thereof and application thereof in anti-counterfeiting ink 廊坊市安鼎新材料科技有限公司 2024-02-06 — — CN disclosed
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