SCHEMBL30183271

SCHEMBL30183271

CC(C)(C)c1cccc(C(N)(N)c2ccccc2)c1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.40
KCNN4 O15554 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
MAPK1 P28482 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
KIF11 P52732 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33

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
SCHEMBL304569 0.80 CA2 (0.57) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL30183038 0.78 KCNN4 (0.38) KCNN4ALDH1A1TSHRTDP1TAAR1
SCHEMBL11572403 0.73 CA2 (0.50) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL28487551 0.72 ALDH1A1 (0.44) CA2KCNN4ALDH1A1TSHRTDP1
SCHEMBL23772034 0.70 CA2 (0.46) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL21161365 0.70 CA2 (0.46) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL25781132 0.70 CA2 (0.46) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL2056782 0.70 CA2 (0.46) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL2780246 0.70 KCNN4 (0.46) KCNN4ALDH1A1TSHRTDP1TAAR1
SCHEMBL1194487 0.69 CA2 (0.41) CA2ALDH1A1TSHRTDP1MAPK1

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-110352272-B Non-woven fabric 住友化学株式会社 2023-01-06 CN disclosed