SCHEMBL26463535

SCHEMBL26463535

Cc1cccc(NC(=O)[C@@H](N)CO)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.56
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
HPGD P15428 1/20 0.51
CYP1A2 P05177 2/20 0.50
ALDH1A1 P00352 2/20 0.50
SAE1 Q9UBE0 1/20 0.50
UBA2 Q9UBT2 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49

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
SCHEMBL13596684 1.00 HSD17B10 (0.56) HSD17B10MEN1KMT2ARXFP1HPGD
SCHEMBL28714757 0.88 HSD17B10 (0.56) HSD17B10MEN1KMT2ARXFP1HPGD
SCHEMBL26741111 0.88 HSD17B10 (0.56) HSD17B10MEN1KMT2ARXFP1HPGD
SCHEMBL29410406 0.88 HSD17B10 (0.56) HSD17B10MEN1KMT2ARXFP1HPGD
SCHEMBL26741143 0.88 HSD17B10 (0.56) HSD17B10MEN1KMT2ARXFP1HPGD
SCHEMBL26464135 0.85 AAK1 (0.53) HSD17B10MEN1KMT2ARXFP1HPGD
SCHEMBL22567214 0.82 SYK (0.40) HSD17B10CYP1A2ALDH1A1SAE1UBA2
SCHEMBL28555017 0.82 ALDH1A1 (0.65) HSD17B10MEN1KMT2AALDH1A1TP53
SCHEMBL28555016 0.82 ALDH1A1 (0.65) HSD17B10MEN1KMT2AALDH1A1TP53
SCHEMBL26463800 0.82 ALDH1A1 (0.65) HSD17B10MEN1KMT2AALDH1A1TP53

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-2023073115-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-04 WO disclosed