SCHEMBL7995089

SCHEMBL7995089

C1=C(Cc2ccccc2)NCC(OCc2ccccc2)=C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.36
NSD2 O96028 1/20 0.36
ABL1 P00519 1/20 0.36
PPARG P37231 1/20 0.36
RIN1 Q13671 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A3 Q01959 3/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 2/20 0.36
PTGS1 P23219 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGS2 P35354 1/20 0.36
HIF1A Q16665 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TSHR P16473 2/20 0.35
MAOB P27338 4/20 0.35
MAOA P21397 3/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL7998680 0.93 HTT (0.48) HTTSMN1; SMN2LTA4HMAPK14
SCHEMBL7995327 0.87 HTT (0.46) HTTLMNAMAPK1TDP1RAB9A
SCHEMBL7998683 0.86 HTT (0.53) HTTSLC6A2SLC6A3LMNACYP1A2
SCHEMBL7992008 0.86 HTT (0.47) HTTL3MBTL1NSD2ABL1PPARG
SCHEMBL7981094 0.83 HTT (0.45) HTTL3MBTL1NSD2ABL1PPARG
SCHEMBL7995324 0.79 HTT (0.55) HTTL3MBTL1SLC6A2SLC6A3LMNA
SCHEMBL7995311 0.79 CALM1 (0.44) HTTL3MBTL1MAOBCALM1
SCHEMBL23715839 0.73 CALM1 (0.39) LMNACYP1A2TSHRCALM1TAAR1
SCHEMBL7998689 0.72 HTT (0.48) HTTL3MBTL1MAOBMAOAMAPT
SCHEMBL7993157 0.70 HTT (0.49) HTTL3MBTL1NSD2ABL1PPARG

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