SCHEMBL7995324

SCHEMBL7995324

CC1=CC=C(OCc2ccccc2)CN1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
L3MBTL1 Q9Y468 4/20 0.43
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.39
LTB4R Q15722 1/20 0.38
CYP2C19 P33261 2/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37
PTGS2 P35354 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HIF1A Q16665 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HTR6 P50406 1/20 0.37
MAOB P27338 2/20 0.37
LIPE Q05469 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL7998689 0.79 HTT (0.48) HTTL3MBTL1MAPTTDP1MAPK1
SCHEMBL7995089 0.79 HTT (0.54) HTTL3MBTL1MAPTTDP1MAPK1
SCHEMBL7998683 0.78 HTT (0.53) HTTLTB4RCYP2C19LMNACYP1A2
SCHEMBL17921822 0.74 LTA4H (0.39) HTTTDP1LMNASLC6A2SLC6A3
SCHEMBL7998680 0.73 HTT (0.48) HTTPOLBSMN1; SMN2LTA4HMAPK14
SCHEMBL7992008 0.72 HTT (0.47) HTTL3MBTL1MAPTLMNAMAOB
SCHEMBL7993157 0.71 HTT (0.49) HTTL3MBTL1MAPTTDP1MAPK1
SCHEMBL7524246 0.71 HTT (1.00) HTTL3MBTL1POLBCYP2C19LMNA
SCHEMBL7995327 0.71 HTT (0.46) HTTTDP1MAPK1POLBLMNA
SCHEMBL7981094 0.70 HTT (0.45) HTTL3MBTL1MAPTTDP1LMNA

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-2001009129-A2 1H-PIRIDO[3, 4-B]INDOL-1-ONE DERIVATIVES NOVUSPHARMA S.P.A. (IT) 2001-02-08 WO disclosed