SCHEMBL6775989

SCHEMBL6775989

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 9/20 0.48
MAPK1 P28482 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTPN1 P18031 2/20 0.42
NPC1 O15118 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL6774597 0.89 TAS2R14 (0.47) TAS2R14MAPK1MEN1KMT2AMAPT
SCHEMBL29238388 0.82 KMT2A (0.56) MEN1KMT2ANPSR1ALDH1A1PTPN1
SCHEMBL2865693 0.78 KMT2A (0.46) MEN1KMT2AALDH1A1PTPN1NPC1
SCHEMBL23257709 0.77 MEN1 (0.64) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL16558062 0.76 KMT2A (0.52) MAPK1MEN1KMT2ANPSR1ALDH1A1
SCHEMBL13136199 0.75 THRB (0.46) TAS2R14MAPK1MEN1KMT2AMAPT
SCHEMBL6773852 0.75 NPY5R (0.65) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL6773850 0.75 NPY5R (0.65) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL20269611 0.75 ALDH1A1 (0.44) TAS2R14MAPK1MEN1KMT2AMAPT
SCHEMBL15779237 0.72 PTPN1 (0.56) MEN1KMT2AMAPTNPSR1ALDH1A1

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