SCHEMBL6774597

SCHEMBL6774597

COC(=O)CN(C[C@H]1CC[C@H](C(=O)O)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 11/20 0.47
MAPK1 P28482 2/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL6775989 0.89 TAS2R14 (0.48) TAS2R14MAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL29238398 0.83 MEN1 (0.51) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL5640330 0.76 KMT2A (0.45) MAPK1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL13136199 0.76 THRB (0.46) TAS2R14MAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL20269611 0.75 ALDH1A1 (0.44) TAS2R14MAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL4714570 0.74 MEN1 (0.43) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL2865693 0.74 KMT2A (0.46) ALDH1A1MEN1KMT2A
SCHEMBL15779059 0.73 MAPT (0.50) MAPK1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL6773850 0.73 NPY5R (0.65) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL6773852 0.73 NPY5R (0.65) MAPTALDH1A1MEN1KMT2ANPSR1

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-6683055-B1 GUANIDINE OR AMIDINE TERMINED PEPTIDES BASF AKTIENGESELLSCHAFT (DE) 2004-01-27 US disclosed