SCHEMBL8091598

SCHEMBL8091598

Cc1ccc(OC(C)N)cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.49
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
KCNH2 Q12809 1/20 0.41
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.40
GFER P55789 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.39
HAO1 Q9UJM8 1/20 0.37
TP53 P04637 1/20 0.37
ATM Q13315 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL454008 0.83 TDP1 (0.42) TDP1SMN1; SMN2HTR2ASLC6A4KCNH2
SCHEMBL10153872 0.82 TDP1 (0.62) TDP1SMN1; SMN2KMT2AL3MBTL1ALDH1A1
SCHEMBL8534164 0.78 TDP1 (0.58) TDP1SMN1; SMN2HTR2ASLC6A4KCNH2
SCHEMBL10359371 0.78 TDP1 (0.63) TDP1SMN1; SMN2KMT2AL3MBTL1LMNA
SCHEMBL10553436 0.78 SMN1; SMN2 (0.57) TDP1SMN1; SMN2KMT2AL3MBTL1LMNA
SCHEMBL11444961 0.78 TDP1 (0.53) TDP1SMN1; SMN2HTR2ASLC6A4KCNH2
SCHEMBL2142119 0.76 TDP1 (0.55) TDP1SMN1; SMN2KMT2AL3MBTL1LMNA
SCHEMBL19122983 0.75 SMN1; SMN2 (0.59) TDP1SMN1; SMN2KMT2AL3MBTL1MAPT
SCHEMBL11577753 0.75 ACHE (0.46) TDP1KMT2ALMNAALDH1A1MAPT
SCHEMBL7651909 0.75 TAAR1 (0.44) SMN1; SMN2HTR2AKMT2AGFERALDH1A1

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
EP-0874805-B1 PHENYLACETAMIDE DERIVATIVES KOREA RES INST CHEM TECH (KR) 2000-09-20 EP disclosed
US-5973201-A ANALGESICS; ANTIINFLAMMATORY AGENTS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1999-10-26 US disclosed