SCHEMBL11620101

SCHEMBL11620101

N[C@H](Cc1c[nH]cn1)C(=O)NO

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CSK P41240 1/20 0.45
CYP3A4 P08684 1/20 0.31
SLC7A5 Q01650 1/20 0.31
NLN Q9BYT8 1/20 0.31
MMP13 P45452 1/20 0.31
CYP1A2 P05177 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL4197031 1.00 CSK (0.45) CSKCYP3A4SLC7A5NLNMMP13
SCHEMBL1070085 0.87 CSK (0.33) CSKCYP3A4SLC7A5NLNCYP1A2
SCHEMBL1070087 0.87 CSK (0.33) CSKCYP3A4SLC7A5NLNCYP1A2
SCHEMBL6957264 0.86 CSK (0.32) CSKCYP3A4SLC7A5NLN
SCHEMBL14151247 0.86 NLN (0.39) NLN
SCHEMBL30745117 0.86 CSK (0.32) CSKCYP3A4SLC7A5NLN
SCHEMBL3835499 0.86 LTA4H (0.33) CSKCYP3A4SLC7A5NLN
SCHEMBL3835494 0.86 LTA4H (0.33) CSKCYP3A4SLC7A5NLN
SCHEMBL27913327 0.84 CYP3A4 (0.33) CSKCYP3A4SLC7A5NLNCYP1A2
SCHEMBL15292000 0.83 SLC15A1 (0.40) CYP3A4SLC7A5CYP1A2

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
US-4099010-A PHTHALOYL AMINO ACID HYDROXAMIC ACIDS MORTON-NORWICH PRODUCTS, INC. (US) 1978-07-04 US disclosed
US-4077998-A Phthaloyl amino acid hydroxamic acids MORTON-NORWICH PRODUCTS, INC. (US) 1978-03-07 US disclosed