SCHEMBL22009555

SCHEMBL22009555

CC(=O)Nc1ccc(/C=C/c2ccncc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
KDM1A O60341 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MAPT P10636 5/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
MAPK1 P28482 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.50
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50

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
SCHEMBL7941715 0.89 SMN1; SMN2 (0.64) TSHRMAPTMEN1KMT2ARAB9A
SCHEMBL7941711 0.89 SMN1; SMN2 (0.64) TSHRMAPTMEN1KMT2ARAB9A
SCHEMBL10944710 0.89 SMN1; SMN2 (0.64) TSHRMAPTMEN1KMT2ARAB9A
SCHEMBL196929 0.84 MAPT (0.74) TSHRMAPTMEN1KMT2ARAB9A
SCHEMBL196930 0.84 MAPT (0.74) TSHRMAPTMEN1KMT2ARAB9A
SCHEMBL48610 0.82 TSHR (0.69) TSHRMAPTMEN1KMT2ARAB9A
SCHEMBL9000760 0.82 MEN1 (0.59) TSHRMAPTMEN1KMT2ARAB9A
SCHEMBL9000756 0.82 MEN1 (0.59) TSHRMAPTMEN1KMT2ARAB9A
SCHEMBL28208686 0.81 RAB9A (0.71) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL14384399 0.81 RAB9A (0.71) MAPTMEN1KMT2ARAB9ANPC1

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-3041904-B1 STYRYL SULFIDE DYES BASF SE (DE) 2020-05-20 EP disclosed