SCHEMBL18344161

SCHEMBL18344161

O=[N+]([O-])c1ccc2oc(N3CCSCC3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
ALDH1A1 P00352 3/20 0.50
RAB9A P51151 8/20 0.49
NPC1 O15118 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MCL1 Q07820 1/20 0.47
ATM Q13315 1/20 0.47
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
GPR119 Q8TDV5 2/20 0.44
LMNA P02545 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL25598124 0.87 RAB9A (0.57) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL2244923 0.86 POLB (0.53) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL3356620 0.85 RAB9A (0.50) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL20296299 0.84 CNR2 (0.49) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL3754634 0.78 RAB9A (0.48) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL13054087 0.78 RAB9A (0.48) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL31349462 0.77 NPC1 (0.53) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL18344059 0.77
SCHEMBL25258653 0.76 RAB9A (0.52) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL25258655 0.76 RAB9A (0.52) MAPTALDH1A1RAB9ANPC1SMN1; SMN2

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-3310767-A1 NADPH OXIDASE 4 INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2018-04-25 EP disclosed
WO-2016207785-A1 NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2016-12-29 WO disclosed