SCHEMBL11436968

SCHEMBL11436968

CNN=c1ccc2ccccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.44
▸ CA4 P22748 2/20 0.44
▸ CA6 P23280 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA3 P07451 1/20 0.44
▸ CA5A P35218 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA13 Q8N1Q1 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ CA5B Q9Y2D0 1/20 0.44
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ AOC3 Q16853 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ DAO P14920 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SRD5A2 P31213 1/20 0.35

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
SCHEMBL29203954 0.78 CA1 (0.48) CA1CA4CA6ALDH1A1CA12
SCHEMBL6648576 0.78 CA1 (0.48) CA1CA4CA6ALDH1A1CA12
SCHEMBL6797860 0.74 ALDH1A1 (0.38) CA1CA4CA6ALDH1A1CA12
SCHEMBL4425921 0.74 CA1 (0.48) CA1CA4CA6ALDH1A1CA12
SCHEMBL9372764 0.74 CA1 (0.48) CA1CA4CA6ALDH1A1CA12
SCHEMBL29156445 0.68 CA1 (0.42) CA1CA4CA6ALDH1A1CA12
SCHEMBL23572345 0.66 CA1 (0.48) CA1CA4CA6ALDH1A1CA12
Benzene SCHEMBL27824443 0.64 ALDH1A1 (0.95) CA1CA4CA6ALDH1A1CA12
SCHEMBL2272041 0.63 — —
Acetic Acid SCHEMBL16395773 0.61 CA12 (0.77) CA1CA4CA6ALDH1A1CA12

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
US-4230798-A ANIMAL-ORIGINATED URICASE MILES LABORATORIES, INC. (US) 1980-10-28 — — US disclosed
US-4119405-A A HYDRAZONE AND 4,5-DIHYDROXY-2,7-NAPHTHALENEDISULFONIC ACID OR 1-HYDROXY-2-NAPHTHALENESULFONIC ACID MILES LABORATORIES, INC. (US) 1978-10-10 — — US disclosed
US-3979262-A COLORIMETRY HOFFMANN-LA ROCHE INC. (US) 1976-09-07 — — US disclosed
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