SCHEMBL6979136

SCHEMBL6979136

CSc1ccc(C(=O)NC(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
ALDH1A1 P00352 6/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 3/20 0.48
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 2/20 0.43
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GLA P06280 1/20 0.42
TRPV1 Q8NER1 1/20 0.40
PKM P14618 1/20 0.39
DTYMK P23919 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.39
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL6493349 0.81 SIRT6 (0.44) GAAALDH1A1MEN1KMT2AHTT
SCHEMBL6493412 0.79 DTYMK (0.57) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL7167920 0.78 MAPT (0.44) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL2116366 0.78 VCAM1 (0.56) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL13761295 0.76 ALDH1A1 (0.67) GAAALDH1A1MEN1KMT2AHTT
SCHEMBL8490674 0.75 ALDH1A1 (0.50) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL2514663 0.72 SIRT6 (0.53) GAAALDH1A1MEN1KMT2AHTT
SCHEMBL19295182 0.72 HPD (0.62) MEN1KMT2AMAPTPOLBPKM
SCHEMBL1668445 0.71 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL3966264 0.71 LMNA (0.54) GAAALDH1A1MEN1KMT2AHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1131321-B1 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS LILLY CO ELI (GB) 2003-09-10 EP disclosed
US-6329366-B1 HETEROCYCLIC, PIPERIDINE, INDOLE DERIVITIVES FOR TREATMENT OF NERVOUS SYSTEM DISORDERS AND SEROTONIN ANTAGONIST ELI LILLY AND COMPANY LIMITED (GB) 2001-12-11 US disclosed
EP-1131321-A2 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY LIMITED (GB) 2001-09-12 EP disclosed
WO-2000031074-A2 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY LIMITED (GB) 2000-06-02 WO disclosed