SCHEMBL19554366

SCHEMBL19554366

Nc1ccc(Cl)cc1-n1nn[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.49
IDO1 P14902 4/20 0.43
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 2/20 0.38
ADORA2A P29274 1/20 0.36
TLR8 Q9NR97 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
NR1H4 Q96RI1 1/20 0.33

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
SCHEMBL8977258 0.83 MAPT (0.44) TLR8MAPT
SCHEMBL8599860 0.82 TLR8 (0.49) ALDH1A1SMN1; SMN2KMT2ATLR8MEN1
SCHEMBL19554342 0.77 TRAP1 (0.30)
SCHEMBL19554375 0.76 LMNA (0.51) TSHRALDH1A1KMT2AMEN1MAPT
SCHEMBL19555155 0.76 BACE1 (0.39) CYP3A4ALDH1A1KMT2AMEN1
SCHEMBL19554817 0.75
SCHEMBL5905977 0.74 GAA (0.42) IDO1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL19554924 0.74 NPC1 (0.45) TSHRALDH1A1SMN1; SMN2TDP1KMT2A
SCHEMBL3239509 0.73 IDO1 (0.46) IDO1CYP3A4ALDH1A1
SCHEMBL1943984 0.73 MEN1 (0.35) KMT2AMEN1

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
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed