SCHEMBL11508068

SCHEMBL11508068

Cc1cc(OS(=O)(=O)c2ccc(F)cc2)n(C(C)c2ccc(F)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.40
▸ KCNK3 O14649 4/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ PKM P14618 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PHGDH O43175 2/20 0.34
▸ PTGS2 P35354 2/20 0.33
▸ CLK1 P49759 2/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33
▸ POLB P06746 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
SCHEMBL11507367 0.87 MEN1 (0.40) AKR1C3KCNK3MEN1KMT2APKM
SCHEMBL11509314 0.77 KCNK3 (0.40) KCNK3ALDH1A1CLK1DYRK1A
SCHEMBL11508354 0.76 HTR2C (0.36) MEN1KMT2A
SCHEMBL11509157 0.75 LMNA (0.40) KCNK3KMT2AALDH1A1LMNACLK1
SCHEMBL11506982 0.74 SLC2A1 (0.37) KCNK3ALDH1A1CLK1DYRK1A
SCHEMBL11508675 0.71 CASR (0.36) KMT2A
SCHEMBL11509774 0.70 KCNN4 (0.38) —
SCHEMBL11508687 0.69 KDM5A (0.37) KCNK3CLK1DYRK1APOLB
SCHEMBL11616709 0.68 NPC1 (0.50) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL2621650 0.67 PPARA (0.45) KCNK3MEN1KMT2ALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4160098-A DIURETICS, SALURETICS, HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1979-07-03 — — US disclosed
US-4122281-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 — — US disclosed
US-4122280-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 — — US disclosed
US-4122279-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 — — US disclosed
US-4096152-A DIURETICS, SALURETICS, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1978-06-20 — — US disclosed
US-4069334-A DIURETICS, HYPOTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1978-01-17 — — US disclosed
US-4002641-A DIURETICS, SALURETICS, HYPOTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1977-01-11 — — US disclosed
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