SCHEMBL11453152

SCHEMBL11453152

Cc1ccc(C(C)n2nc(C)c(-c3ccccc3)c2OS(=O)(=O)c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 3/20 0.35
▸ ALPI P09923 3/20 0.35
▸ VCAM1 P19320 1/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ MCOLN3 Q8TDD5 2/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ HTR1E P28566 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL11508918 0.81 VCAM1 (0.39) ALPLALPIVCAM1SMN1; SMN2ALDH1A1
SCHEMBL11465083 0.77 APEX1 (0.37) MAPTMEN1KMT2AS1PR3
SCHEMBL11452734 0.74 PTGS2 (0.37) SMN1; SMN2MAPTMEN1KMT2AHTT
SCHEMBL11461875 0.72 MAPT (0.38) SMN1; SMN2RAB9AALDH1A1MAPTMCOLN3
SCHEMBL11463589 0.67 MAP3K14 (0.43) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL11454347 0.66 MAP3K14 (0.41) SMN1; SMN2MAPTMEN1KMT2ACYP1A2
SCHEMBL11472733 0.66 MAPT (0.43) SMN1; SMN2ALDH1A1MAPTMCOLN3MEN1
SCHEMBL11462608 0.66 GCGR (0.39) SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL11510235 0.66 MAPT (0.42) SMN1; SMN2ALDH1A1MAPTRECQLMEN1
SCHEMBL11459956 0.65 MAP3K14 (0.41) MEN1KMT2ACYP1A2CYP2C9CYP2C19

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-4207325-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE AND ANTITHROMBOTIC PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 1980-06-10 — — US disclosed
US-4113872-A DIURETICS, SALURETICS, ANTIHYPERTENSIVE, ANTITHROMBOTIC AGENTS BAKER AKTIENGESELLSHAFT (DE) 1978-09-12 — — US disclosed
US-4112109-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-09-05 — — US disclosed
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