SCHEMBL23170656

SCHEMBL23170656

NCCOCc1ccc(N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.48
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
GFER P55789 1/20 0.44
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAOB P27338 6/20 0.42
APP P05067 1/20 0.42
MAOA P21397 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
SLC6A2 P23975 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR3A P46098 1/20 0.38

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
SCHEMBL4301097 0.88 TSHR (0.50) LOXL2ALDH1A1TSHRGFERCYP3A4
SCHEMBL26189874 0.86 TAAR1 (0.54) LOXL2ALDH1A1TDP1MAOBL3MBTL1
SCHEMBL4314778 0.84 TDP1 (0.46) LOXL2ALDH1A1TSHRGFERCYP3A4
SCHEMBL234606 0.83 ALDH1A1 (0.55) LOXL2ALDH1A1TSHRGFERCYP3A4
SCHEMBL23043381 0.82 TAAR1 (0.54) ALDH1A1TDP1APPL3MBTL1KDM4E
SCHEMBL21447698 0.81 LOXL2 (0.52) LOXL2ALDH1A1TSHRGFERCYP3A4
SCHEMBL25263208 0.80 IDO1 (0.56) MAOBAPPRAB9ASMN1; SMN2TAAR1
SCHEMBL21518158 0.80 AGXT (0.56) ALDH1A1MAOBMAPTRAB9ATAAR1
SCHEMBL25375383 0.80 APP (0.47) LOXL2ALDH1A1TSHRGFERCYP3A4
SCHEMBL13799442 0.80 TSHR (0.42) LOXL2ALDH1A1TSHRGFERCYP3A4

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-3541793-B1 PROCESS FOR THE MANUFACTURING OF TRIARYL-ALKYL BORATES COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2021-03-31 EP disclosed