SCHEMBL11552594

SCHEMBL11552594

Cc1cccc(Oc2cc(Cl)c(S(=O)(=O)O)cc2S(N)(=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RX4 Q99571 14/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ HTT P42858 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ TMEM97 Q5BJF2 2/20 0.41
▸ CYP2C8 P10632 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ P2RX3 P56373 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ P2RX7 Q99572 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ ADRA2C P18825 1/20 0.40

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
SCHEMBL11553517 0.88 P2RX4 (0.53) P2RX4TMEM97CYP2C8CYP2D6CYP2C9
SCHEMBL11553287 0.86 P2RX4 (0.43) P2RX4L3MBTL1HTTTDP1SMN1; SMN2
SCHEMBL11555410 0.85 P2RX4 (0.49) P2RX4L3MBTL1TMEM97CYP2C8CYP2D6
SCHEMBL11555056 0.81 PRKAB2 (0.42) P2RX4ALDH1A1LMNA
SCHEMBL11552599 0.80 P2RX4 (0.40) P2RX4
SCHEMBL11550929 0.74 ALDH1A1 (0.45) P2RX4TDP1ALDH1A1GAACYP2C9
SCHEMBL11555741 0.71 P2RX4 (0.46) P2RX4TDP1TMEM97CYP2C8CYP2D6
SCHEMBL11556382 0.71 CYP2C9 (0.44) P2RX4L3MBTL1ALDH1A1GAATMEM97
SCHEMBL11552574 0.70 CA1 (0.48) L3MBTL1TDP1CYP2C9LMNA
SCHEMBL8741354 0.69 ALDH1A1 (0.58) L3MBTL1HTTTDP1ALDH1A1GAA

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-4161533-A DIURETICS, SALURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-17 — — US disclosed
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