SCHEMBL7960188

SCHEMBL7960188

COc1ccc(S(=O)(=O)NCC2CCC(C(=O)NNC(=O)c3cccnc3)CC2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
HTT P42858 1/20 0.56
PKM P14618 2/20 0.51
KMT2A Q03164 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 1/20 0.48
NPY5R Q15761 4/20 0.48
POLB P06746 1/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.47
ATM Q13315 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL7973031 0.85 HDAC3 (0.64) ALDH1A1HTTPKMNPY5RLMNA
SCHEMBL7973349 0.84 NPY5R (0.63) ALDH1A1HTTPKMKMT2ANPY5R
SCHEMBL2139445 0.77 ALDH1A1 (0.53) ALDH1A1HTTPKMKMT2AMAPT
SCHEMBL2139442 0.77 ALDH1A1 (0.53) ALDH1A1HTTPKMKMT2AMAPT
SCHEMBL7960267 0.74 HDAC3 (0.73) KMT2ANPY5RPOLBMEN1
SCHEMBL29877086 0.74 HDAC3 (0.73) KMT2ANPY5RPOLBMEN1
SCHEMBL7971400 0.74 NPY5R (0.72) ALDH1A1KMT2ANPY5RPOLBMEN1
SCHEMBL441272 0.74 SMN1; SMN2 (0.53) ALDH1A1KMT2AGAASMN1; SMN2
SCHEMBL441271 0.74 SMN1; SMN2 (0.53) ALDH1A1KMT2AGAASMN1; SMN2
SCHEMBL12572060 0.71 KMT2A (0.72) ALDH1A1HTTPKMKMT2ATDP1

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-6271247-B1 BINDING TO NEUROPEPTIDE RECEPTORS ADIR ET COMPAGNIE (FR) 2001-08-07 US disclosed
US-6172108-B1 NEUROPEPTIDE Y RECEPTOR LIGANDS; TREATING PSYCHOLOGICAL, EATING, SLEEP, AND SEXUAL DISORDERS; HYPOTENSIVE, ANXIOLYTIC, ANTIDEPRESSANT, AND ANTIDIABETIC AGENTS ADIR ET COMPAGNIE (FR) 2001-01-09 US disclosed