SCHEMBL9864628

SCHEMBL9864628

C1=C[N+]c2ccccc2C1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL29507678 0.68 TSHR (0.44) TSHRCA1CA2
SCHEMBL44447 0.68 TSHR (0.44) TSHRCA1CA2
SCHEMBL722804 0.67
Indene SCHEMBL8617 0.58
Indene SCHEMBL29350094 0.58
Indene SCHEMBL8336138 0.58 CA1 (0.55) TSHRCA1CA2
Indene SCHEMBL23301011 0.56 CA1 (0.53) TSHRCA1CA2
Indene SCHEMBL1054910 0.56 CA1 (0.53) TSHRCA1CA2
Indene SCHEMBL7153004 0.56 CA1 (0.53) TSHRCA1CA2
SCHEMBL594989 0.56 TSHR (0.46) TSHRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5025005-A Preventive or therapeutic agents for circulatory diseases, allergic disorders; antineoplastic agent; inhibitor for platelet activating factor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-06-18 US disclosed
EP-0369810-A2 PAF antagonists as anti-hyperendothelinemia agents Takeda Chemical Industries, Ltd. (JP) 1990-05-23 EP disclosed
US-4737518-A ANTIALLERGENS, ANTINEOPLASTICS, ANTICOAGULANTS, CIRCULATORY DISEASES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-04-12 US disclosed
EP-0157609-A2 Lipid derivatives their production and use Takeda Chemical Industries, Ltd. (JP) 1985-10-09 EP disclosed