SCHEMBL9596924

SCHEMBL9596924

NC(CCCCN1C(=O)c2ccccc2C1=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.67
▸ TDP1 Q9NUW8 2/20 0.67
▸ KMT2A Q03164 6/20 0.63
▸ MEN1 O00255 5/20 0.63
▸ NPC1 O15118 2/20 0.63
▸ RAB9A P51151 2/20 0.63
▸ GAA P10253 2/20 0.63
▸ HTR2A P28223 2/20 0.53
▸ DNMT1 P26358 2/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ DNMT3B Q9UBC3 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ LMNA P02545 4/20 0.51
▸ HTT P42858 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ ADRB1 P08588 1/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ ADRA2A P08913 1/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ HTR1D P28221 1/20 0.49

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
Oxalic Acid SCHEMBL9613886 0.94 MAPT (0.61) MAPTTDP1KMT2AMEN1NPC1
SCHEMBL9596806 0.83 MAPT (0.51) MAPTTDP1KMT2AMEN1NPC1
SCHEMBL21225808 0.81 MAPT (0.90) MAPTTDP1KMT2AMEN1NPC1
SCHEMBL9603353 0.81 HTR2A (0.48) MAPTTDP1KMT2AMEN1NPC1
SCHEMBL9517046 0.81 MAPT (0.54) MAPTTDP1KMT2AMEN1NPC1
SCHEMBL735125 0.78 MAPT (1.00) MAPTTDP1KMT2AMEN1NPC1
SCHEMBL14625611 0.77 KMT2A (0.67) MAPTTDP1KMT2AMEN1NPC1
SCHEMBL7863739 0.76 HTR2A (0.68) MAPTTDP1KMT2AMEN1HTR2A
SCHEMBL19134154 0.76 HTR2A (0.68) MAPTTDP1KMT2AMEN1HTR2A
SCHEMBL19134209 0.76 HTR2A (0.68) MAPTTDP1KMT2AMEN1HTR2A

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-5250538-A Treating CNS disorders; antiserotinin agents NOVO NORDISK A/S (DK) 1993-10-05 — — US disclosed
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