SCHEMBL26334697

SCHEMBL26334697

Nc1csc(CC(=O)NI)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
GFER P55789 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRB2 P47870 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MAPK1 P28482 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
SCHEMBL26334879 0.80 ALDH1A1 (0.43) ALDH1A1TDP1MAPTSMN1; SMN2HPGD
SCHEMBL26349155 0.79 LMNA (0.38) ALDH1A1TDP1MAPTSMN1; SMN2HPGD
SCHEMBL26334712 0.79 ALDH1A1 (0.39) ALDH1A1TDP1MAPTSMN1; SMN2HPGD
SCHEMBL1582980 0.78 GABRA5 (0.52) ALDH1A1MAPTGABRA5GABRB2HSD17B10
SCHEMBL26339399 0.78 ALDH1A1 (0.44) ALDH1A1TDP1MAPTSMN1; SMN2HPGD
SCHEMBL26337222 0.77 HTR2B (0.36) ALDH1A1TDP1MAPTSMN1; SMN2HPGD
SCHEMBL26337113 0.77 ALDH1A1 (0.46) ALDH1A1TDP1MAPTSMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL28049431 0.77 GABRA5 (0.50) ALDH1A1MAPTGABRA5GABRB2HSD17B10
SCHEMBL9203531 0.77 HSD17B10 (0.38) ALDH1A1MAPTSMN1; SMN2GABRA5GABRB2
SCHEMBL11415710 0.76 L3MBTL1 (0.59) ALDH1A1TDP1MAPTSMN1; SMN2HPGD

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-4249480-A1 DIPHENYLPYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Northwest A&F University (CN) 2023-09-27 EP disclosed