SCHEMBL24254051

SCHEMBL24254051

CCc1cc(OC)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.42
F10 P00742 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LPAR1 Q92633 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL2156670 0.88 AKR1C3 (0.48) ALDH1A1KMT2AMEN1NR1I2F10
SCHEMBL7962276 0.86 AKR1C3 (0.41) ALDH1A1KMT2AMEN1NR1I2TAS1R3
SCHEMBL8762406 0.85 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1NR1I2F10
SCHEMBL8502442 0.85 MAPT (0.46) ALDH1A1KMT2AMEN1NR1I2F10
SCHEMBL8762255 0.85 TAS1R3 (0.44) ALDH1A1KMT2AMEN1NR1I2F10
SCHEMBL3225589 0.84 NR1I2 (0.41) ALDH1A1KMT2AMEN1NR1I2F10
SCHEMBL8761832 0.84 TAS1R3 (0.43) ALDH1A1KMT2AMEN1NR1I2TAS1R3
SCHEMBL8924801 0.83 MTNR1A (0.43) ALDH1A1NR1I2SMN1; SMN2MAPT
SCHEMBL8085605 0.82 ALDH1A1 (0.42) ALDH1A1KMT2ATAS1R3TAS1R1MAPT
SCHEMBL8505209 0.82 MTNR1A (0.39) ALDH1A1KMT2AMEN1NR1I2F10

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
WO-2022034587-A1 Traf2- AND Nck-INTERACTING KINASE (TNIK) INHIBITORS AND USES THEREOF TNIK THERAPEUTICS LTD (IL) 2022-02-17 WO disclosed