SCHEMBL7813641

SCHEMBL7813641

Cc1ccc2nc(N(CCC(=O)O)CCC(=O)O)sc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.60
▸ NPC1 O15118 3/20 0.60
▸ APEX1 P27695 2/20 0.60
▸ MITF O75030 1/20 0.60
▸ POLB P06746 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ PPARD Q03181 1/20 0.58
▸ DYRK1A Q13627 1/20 0.53
▸ MAPT P10636 5/20 0.52
▸ TMPRSS15 P98073 2/20 0.52
▸ TP53 P04637 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ ACP1 P24666 1/20 0.50
▸ PTPN1 P18031 1/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ STAT1 P42224 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47

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
SCHEMBL24331728 0.76 HDAC6 (0.68) RAB9ANPC1APEX1MITFPOLB
SCHEMBL27839973 0.75 DYRK1A (0.63) RAB9ANPC1APEX1MITFPOLB
SCHEMBL14077515 0.73 MAPT (0.54) RAB9ANPC1POLBDYRK1AMAPT
SCHEMBL23839400 0.73 MAPT (0.44) RAB9ANPC1POLBPPARDMAPT
SCHEMBL14189673 0.73 RAB9A (0.70) RAB9ANPC1APEX1MITFPOLB
SCHEMBL16847224 0.73 HTT (0.67) RAB9ANPC1POLBDYRK1AMAPT
SCHEMBL15993576 0.72 MAPT (0.50) RAB9ANPC1POLBDYRK1AMAPT
SCHEMBL23965747 0.72 PPARD (0.47) RAB9ANPC1PPARDMAPTTMPRSS15
SCHEMBL2793209 0.71 DYRK1A (0.65) RAB9ANPC1APEX1MITFPOLB
SCHEMBL25408657 0.71 TMPRSS15 (0.68) RAB9ANPC1TMPRSS15SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — WO disclosed
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