SCHEMBL4440176

SCHEMBL4440176

CS(=O)(=O)c1ccc(NC2CCN(C(=O)O)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.54
ALDH1A1 P00352 3/20 0.53
ALDH3A1 P30838 4/20 0.52
LMNA P02545 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GPR55 Q9Y2T6 1/20 0.51
WNK1 Q9H4A3 2/20 0.50
MAPT P10636 3/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPK1 P28482 2/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL4440170 1.00 HCAR3 (0.54) HCAR3ALDH1A1ALDH3A1LMNAMEN1
SCHEMBL27910633 0.89 HCAR3 (0.54) HCAR3ALDH1A1ALDH3A1LMNAMEN1
SCHEMBL4445873 0.85 GPR119 (0.54) ALDH1A1LMNAMAPTPOLBSMN1; SMN2
SCHEMBL3950396 0.85 HCAR3 (0.57) HCAR3ALDH1A1ALDH3A1LMNAMEN1
SCHEMBL22495122 0.83 HCAR3 (0.59) HCAR3ALDH1A1LMNAWNK1MAPT
SCHEMBL1956333 0.82 MAPT (0.50) HCAR3ALDH1A1ALDH3A1LMNAMEN1
SCHEMBL3528454 0.82 ALDH1A1 (0.51) HCAR3ALDH1A1ALDH3A1LMNAMEN1
SCHEMBL28073275 0.82 MAPT (0.50) HCAR3ALDH1A1ALDH3A1LMNAMEN1
SCHEMBL3528450 0.82 ALDH1A1 (0.51) HCAR3ALDH1A1ALDH3A1LMNAMEN1
SCHEMBL28131025 0.82 MAPT (0.50) HCAR3ALDH1A1ALDH3A1LMNAMEN1

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-2121656-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE Pfizer Products Inc. (US) 2009-11-25 EP disclosed
WO-2008084300-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER PRODUCTS INC. (US) 2008-07-17 WO disclosed