SCHEMBL11047987

SCHEMBL11047987

Cc1nn(-c2ccc(S(=O)(=O)O)c(Cl)c2Cl)c(O)c1/N=N/c1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ RPS6KA3 P51812 1/20 0.39
▸ ATIC P31939 2/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PHLPP2 Q6ZVD8 1/20 0.37
▸ SUMO2 P61956 1/20 0.36
▸ SUMO1 P63165 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP2 Q9HC62 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ MAPK1 P28482 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
SCHEMBL11047990 1.00 POLB (0.40) POLBCYP2D6CYP1A2CYP2C9RPS6KA3
SCHEMBL13557906 0.84 CYP1A2 (0.40) POLBCYP2D6CYP1A2CYP2C9RPS6KA3
SCHEMBL14373601 0.84 CYP1A2 (0.40) POLBCYP2D6CYP1A2CYP2C9RPS6KA3
SCHEMBL15298975 0.81 ALOX5 (0.46) POLBCYP2D6CYP1A2CYP2C9RPS6KA3
SCHEMBL13557905 0.78 CYP2C19 (0.55) POLBCYP2D6CYP1A2CYP2C9RPS6KA3
SCHEMBL21469257 0.77 POLB (0.44) POLBCYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL12947973 0.76 CYP1A2 (0.47) POLBCYP2D6CYP1A2CYP2C9RPS6KA3
SCHEMBL28579797 0.75 ATIC (0.66) CYP1A2CYP2C9ATICNPC1MAPT
SCHEMBL13915906 0.71 ALDH1A1 (0.44) CYP1A2CYP2C9CYP2C19PHLPP2NPC1
SCHEMBL13082625 0.71 CYP1A2 (0.35) POLBCYP2D6CYP1A2CYP2C9RPS6KA3

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
US-4464281-A PRECONDITIONED BY AIR FLOW LEVER BROTHERS COMPANY (US) 1984-08-07 — — US disclosed
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