SCHEMBL28977901

SCHEMBL28977901

CC(C)c1cccc(-c2ccc(-c3cccc(C(C)C)c3-c3ccc(N)cc3)cc2)c1-c1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
ANPEP P15144 2/20 0.40
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
CYP3A4 P08684 3/20 0.38
FAAH O00519 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
GABRB1 P18505 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38

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
SCHEMBL30808560 1.00 CA1 (0.44) CA1CA2CA12CA9ANPEP
SCHEMBL5670849 0.88 CYP3A4 (0.43) CA1CA2CA12CA9ANPEP
SCHEMBL11314594 0.82 CA1 (0.43) CA1CA2CA12CA9GABRA1
SCHEMBL2787589 0.82 CA1 (0.61) CA1CA2CA12CA9ANPEP
SCHEMBL9171533 0.82 CA1 (0.41) CA1CA2CA12CA9GABRA1
SCHEMBL7671735 0.81 CA1 (0.44) CA1CA2CA12CA9ANPEP
SCHEMBL113297 0.80 TDP1 (0.46) CYP3A4HPGDTSHRACHETDP1
SCHEMBL29366185 0.80 TDP1 (0.46) CYP3A4HPGDTSHRACHETDP1
SCHEMBL2446270 0.80 CYP3A4 (0.50) CYP3A4LMNATSHRKITKDR
SCHEMBL9789329 0.79 NPC1 (0.37) CA1CA2CA12CA9ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112585198-B Polyimide film containing crystalline polyimide resin and thermally conductive filler, and method for producing same 聚酰亚胺先端材料有限公司 2023-04-04 CN disclosed