SCHEMBL11118529

SCHEMBL11118529

Nc1ccc2nc(SCC(=O)O)[nH]c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.71
▸ HSD17B10 Q99714 1/20 0.71
▸ KMT2A Q03164 1/20 0.65
▸ PRKAG1 P54619 4/20 0.62
▸ PRKAB1 Q9Y478 4/20 0.62
▸ PRKAA2 P54646 3/20 0.62
▸ PRMT5 O14744 1/20 0.56
▸ WDR77 Q9BQA1 1/20 0.56
▸ MAPT P10636 3/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2E1 P05181 2/20 0.54
▸ CYP2C8 P10632 2/20 0.54
▸ CYP2D6 P10635 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ CYP2B6 P20813 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ PLA2G1B P04054 1/20 0.54
▸ ATG4B Q9Y4P1 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.53

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
SCHEMBL9305991 0.83 RAB9A (0.51) RAB9AHSD17B10KMT2APRKAG1PRKAB1
SCHEMBL10692180 0.83 RAB9A (0.71) RAB9AHSD17B10KMT2APRKAG1PRKAB1
SCHEMBL3515244 0.79 KMT2A (1.00) RAB9AHSD17B10KMT2AALDH1A1NPC1
SCHEMBL29770390 0.79 KMT2A (1.00) RAB9AHSD17B10KMT2AALDH1A1NPC1
SCHEMBL11120205 0.79 HSD17B10 (0.64) RAB9AHSD17B10KMT2APRKAG1PRKAB1
SCHEMBL7822536 0.77 PRKAG1 (0.69) RAB9AHSD17B10KMT2APRKAG1PRKAB1
SCHEMBL13365401 0.76 PRKAG1 (0.76) RAB9AHSD17B10KMT2APRKAG1PRKAB1
SCHEMBL7348242 0.75 MAPT (0.68) RAB9AHSD17B10KMT2AMAPTCYP1A2
SCHEMBL14959209 0.74 KMT2A (0.65) RAB9AHSD17B10KMT2APRKAG1PRKAB1
SCHEMBL10692167 0.74 KMT2A (0.65) RAB9AHSD17B10KMT2APRKAG1PRKAB1

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
EP-0128862-A2 Anti-corrosive coating composition CIBA-GEIGY AG (CH) 1984-12-19 — — EP disclosed
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