SCHEMBL11087922

SCHEMBL11087922

CCOC(=O)Nc1ccc2c(c1)C(c1ccccc1Cl)S(=O)(=O)CCC(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALOX15 P16050 2/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
DGAT1 O75907 1/20 0.40
POLB P06746 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HPGD P15428 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL11080868 0.81 MAPT (0.50) TSHRMAPTLMNAALDH1A1HSD17B10
SCHEMBL11085842 0.77 MAPT (0.55) TSHRMAPTKMT2AMEN1ALOX15
SCHEMBL11079648 0.72 ALDH1A1 (0.50) TSHRMAPTLMNAALDH1A1KMT2A
SCHEMBL11081504 0.71 ALDH1A1 (0.44) TSHRMAPTLMNAALDH1A1HSD17B10
SCHEMBL10367113 0.71 HDAC3 (0.57) TSHRMAPTLMNAALDH1A1HSD17B10
SCHEMBL11090465 0.67 MAPT (0.45) TSHRMAPTLMNAALDH1A1KMT2A
SCHEMBL9659046 0.63 KMT2A (0.70) TSHRMAPTLMNAALDH1A1HSD17B10
SCHEMBL9557089 0.63 KMT2A (0.77) TSHRMAPTLMNAALDH1A1HSD17B10
SCHEMBL6491164 0.62 HPGD (0.76) TSHRMAPTLMNAALDH1A1HSD17B10
SCHEMBL6364379 0.62 KMT2A (0.46) TSHRMAPTLMNAALDH1A1HSD17B10

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
US-4464300-A PSYCHOTROPIC, ANXIOLYTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1984-08-07 US disclosed