SCHEMBL11212945

SCHEMBL11212945

NC(=O)CSc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
MAPT P10636 6/20 0.55
ALDH1A1 P00352 6/20 0.55
PLA2G1B P04054 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
IDO1 P14902 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.46

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) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL11212940 0.82 ALDH1A1 (0.51) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL7224442 0.82 ALDH1A1 (0.52) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL11876632 0.81 ALDH1A1 (0.58) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL11218179 0.80 HSP90AA1 (0.57) SMN1; SMN2MAPTALDH1A1PLA2G1BATG4B
SCHEMBL7916730 0.79 ALDH1A1 (0.48) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL5288477 0.78 ALDH1A1 (0.58) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL8030765 0.78 ALDH1A1 (0.48) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL1532181 0.77 TSHR (0.59) SMN1; SMN2MAPTALDH1A1TSHRKMT2A
SCHEMBL9787226 0.77 MAPT (0.64) SMN1; SMN2MAPTALDH1A1KMT2AMEN1

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