SCHEMBL18643129

SCHEMBL18643129

O=C(NCC/C1=C/CCCNc2ccc(Cl)cc21)C1CC(c2ccccc2)=NO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL892175 0.73 SNCA (0.54) ATMTAAR1MAPTLMNAHPGD
SCHEMBL18643131 0.69 NPC1 (0.47) ALDH1A1CA1CA2MEN1KMT2A
SCHEMBL18643353 0.69 FAAH (0.49) ALDH1A1MEN1KMT2AATMMAPT
SCHEMBL18639760 0.66 CCNA2 (0.35) ALDH1A1MEN1KMT2AATMLMNA
SCHEMBL18643176 0.65 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ALMNANPC1
SCHEMBL24517998 0.65 CA1 (0.67) ALDH1A1CA1CA2MEN1KMT2A
SCHEMBL24517764 0.64 MEN1 (0.53) ALDH1A1CA1CA2MEN1KMT2A
SCHEMBL27522271 0.64 CA1 (1.00) CA1CA2MEN1KMT2AL3MBTL1
SCHEMBL24517780 0.63 CA1 (0.64) ALDH1A1CA1CA2MEN1KMT2A
SCHEMBL18642817 0.63 POLB (0.58) ALDH1A1MEN1KMT2AL3MBTL1CYP3A4

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
EP-2440550-B1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIV LEUVEN KATH (BE) 2017-03-15 EP disclosed