SCHEMBL11212940

SCHEMBL11212940

[NH]C(=O)CSc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 7/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 1/20 0.46
CRHBP P24387 1/20 0.46
CASP3 P42574 1/20 0.46
CRHR2 Q13324 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
CES1 P23141 1/20 0.46
IDO1 P14902 1/20 0.45
CRBN Q96SW2 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 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
SCHEMBL877985 0.84 FFAR1 (0.57) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7224442 0.82 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11212945 0.82 SMN1; SMN2 (0.58) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11218175 0.80 HSP90AA1 (0.57) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL7916730 0.79 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8030765 0.78 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11876632 0.78 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5288477 0.78 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9787226 0.77 MAPT (0.64) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8746689 0.77 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTPOLB

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-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 US disclosed