SCHEMBL11264103

SCHEMBL11264103

COC(=O)c1csc(-c2ccccc2)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HPGD P15428 5/20 0.52
MAPT P10636 5/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 2/20 0.52
GAA P10253 2/20 0.52
PRKCZ Q05513 1/20 0.52
HSD17B10 Q99714 4/20 0.51
KDM4E B2RXH2 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GRM6 O15303 1/20 0.51
GRM5 P41594 1/20 0.51
CFTR P13569 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48

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
Hydrochloric Acid SCHEMBL11264101 0.98 ALDH1A1 (0.51) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL11261390 0.82 NPC1 (0.46) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL6516451 0.80 MAPT (0.47) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL11260560 0.78 MAPT (0.48) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL3321379 0.77 KDM4E (0.56) ALDH1A1HPGDMAPTMEN1KMT2A
Cyclopropane SCHEMBL11655513 0.75 HPGD (0.49) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL23413048 0.74 ALDH1A1 (0.46) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL30300589 0.73 KDM4E (0.46) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL1883906 0.73 ALDH1A1 (0.66) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL9031450 0.73 ALDH1A1 (0.56) ALDH1A1HPGDMAPTMEN1KMT2A

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
US-4360681-A ANTILIPOLYTIC OR DIETETIC AGENT, INTERMEDIATE FOR BIOTIN HOFFMANN-LA ROCHE INC. (US) 1982-11-23 US disclosed
US-4299968-A CHEMICAL INTERMEDIATES FOR BIOTIN AND BLOOD LIPID LOWERING AGENTS HOFFMANN-LA ROCHE INC. (US) 1981-11-10 US disclosed