SCHEMBL6607419

SCHEMBL6607419

NNC(=O)c1sc(-c2ccccc2)cc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 1.00
KDM4E B2RXH2 6/20 1.00
ALDH1A1 P00352 5/20 1.00
MEN1 O00255 4/20 1.00
KMT2A Q03164 4/20 1.00
GAA P10253 5/20 0.73
RAB9A P51151 3/20 0.73
GFER P55789 2/20 0.73
IKBKB O14920 7/20 0.69
CYP1A2 P05177 2/20 0.69
CYP3A4 P08684 2/20 0.69
CYP2C9 P11712 2/20 0.69
BTK Q06187 1/20 0.69
RXFP1 Q9HBX9 2/20 0.67
LMNA P02545 1/20 0.67
PKM P14618 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.61
HPGD P15428 2/20 0.61
NPC1 O15118 2/20 0.61
HSD17B10 Q99714 1/20 0.61

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
SCHEMBL12409616 0.84 KDM4E (0.72) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL2044907 0.83 IKBKB (0.77) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL2158576 0.81 IKBKB (0.75) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL1847243 0.81 IKBKB (1.00) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL14525226 0.81 MAPT (0.68) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL12747672 0.81 IKBKB (0.69) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL4119811 0.80 MAPT (1.00) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL431794 0.79 MAPT (0.74) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL2158580 0.79 IKBKB (0.71) MAPTKDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL8864118 0.78 MAPT (0.72) MAPTKDM4EALDH1A1MEN1KMT2A

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
EP-1444010-A2 HETEROAROMATIC CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-08-11 EP disclosed
WO-2003037886-A2 HETEROAROMATIC CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-05-08 WO disclosed