SCHEMBL21755799

SCHEMBL21755799

C#CCN(CC#C)c1ccc(CC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
PYCR1 P32322 11/20 0.41
IGLV6-57 P01721 2/20 0.40
MAOB P27338 2/20 0.39
CYP2A6 P11509 1/20 0.39
TSHR P16473 2/20 0.37
LMNA P02545 2/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAOA P21397 1/20 0.37
KCNQ4 P56696 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL13338103 0.84 CA12 (0.63) CA12CA1CA2CA4CA7
SCHEMBL23960143 0.79 CA12 (0.50) CA12CA1CA2CA4CA7
SCHEMBL13627686 0.79 CA12 (0.50) CA12CA1CA2CA4CA7
SCHEMBL22680861 0.79 MAOB (0.46) CA12CA1CA2CA4CA7
SCHEMBL31327481 0.78 CA12 (0.53) CA12CA1CA2CA4CA7
SCHEMBL26582583 0.77 CA12 (0.41) CA12CA1CA2CA4CA7
SCHEMBL4403062 0.75 ALDH1A1 (0.58) TSHRLMNACYP3A4MAPK1TDP1
SCHEMBL11957492 0.74 CA12 (0.42) CA12CA1CA2CA4CA7
SCHEMBL22737722 0.74 CYP2A6 (0.41) CA2CYP2A6TSHRCYP3A4MAPK1
SCHEMBL10126415 0.74 CA12 (0.53) CA12CA1CA2CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118993898-A 1, 7-Dihalogenated-1, 6-heptadiyne derivative and preparation method thereof, and polymer of 1, 7-dihalogenated-1, 6-heptadiyne derivative and preparation method and application thereof 西南林业大学 2024-11-22 CN disclosed
US-20230333469-A1 FILM FORMING COMPOSITION FOR LITHOGRAPHY, RESIST PATTERN FORMATION METHOD, AND CIRCUIT PATTERN FORMATION METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-10-19 US disclosed
US-20230333469-A1 FILM FORMING COMPOSITION FOR LITHOGRAPHY, RESIST PATTERN FORMATION METHOD, AND CIRCUIT PATTERN FORMATION METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-10-19 US disclosed
EP-3747857-A1 COMPOUND, RESIN, COMPOSITION, METHOD FOR FORMING RESIST PATTERN, METHOD FOR FORMING CIRCUIT PATTERN, AND METHOD FOR PURIFYING RESIN MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-12-09 EP disclosed
WO-2020218599-A1 COMPOUND, RESIN, COMPOSITION, METHOD FOR FORMING RESIST PATTERN, METHOD FOR FORMING CIRCUIT PATTERN AND PURIFICATION METHOD 三菱瓦斯化学株式会社 2020-10-29 WO disclosed
WO-2020040162-A1 COMPOUND, COMPOSITION CONTAINING SAME, METHOD FOR FORMING RESIST PATTERN, AND METHOD FOR FORMING INSULATING FILM 三菱瓦斯化学株式会社 2020-02-27 WO disclosed