SCHEMBL11508844

SCHEMBL11508844

O=[N+]([O-])c1ccc(S(=O)(=O)N2CCNCC2c2ccccn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.43
▸ CHUK O15111 1/20 0.43
▸ MAPT P10636 5/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.39
▸ HTR7 P34969 1/20 0.38
▸ PARL Q9H300 1/20 0.38

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
SCHEMBL16500313 0.82 ADRB1 (0.46) MAPTALDH1A1L3MBTL1TP53ALOX12
Hydrochloric Acid SCHEMBL27601656 0.75 ADRB1 (0.44) MAPTHSD11B1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL7079396 0.69 MMP1 (0.39) ALDH1A1TP53SMN1; SMN2LMNAKMT2A
SCHEMBL2900748 0.69 PLD1 (0.42) MAPTALDH1A1L3MBTL1HTR7
SCHEMBL31232802 0.69 PLD1 (0.42) MAPTALDH1A1TP53SMN1; SMN2KMT2A
SCHEMBL27758968 0.68 ADRB1 (0.43) MAPTALDH1A1SMN1; SMN2LMNAADRB1
SCHEMBL20271939 0.68 LMNA (0.58) MAPTALDH1A1L3MBTL1TP53SMN1; SMN2
SCHEMBL21378121 0.68 LMNA (0.58) MAPTALDH1A1L3MBTL1TP53SMN1; SMN2
SCHEMBL1871493 0.68 MAPT (0.63) IKBKBCHUKMAPTHSD11B1ALDH1A1
SCHEMBL1964149 0.68 PLD1 (0.40) MAPTALDH1A1L3MBTL1KMT2AHTR7

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-4159331-A Antihypertensive 4-aminoquinolines THE UPJOHN COMPANY (US) 1979-06-26 — — US disclosed
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