SCHEMBL9517046

SCHEMBL9517046

NC(CCCCN1C(=O)c2ccccc2C1=O)CSc1c[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ GAA P10253 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ DRD2 P14416 6/20 0.46
▸ STAT3 P40763 1/20 0.43
▸ LMNA P02545 3/20 0.43
▸ HTT P42858 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HTR1A P08908 1/20 0.39

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
SCHEMBL9517244 0.88 MAPT (0.59) MAPTTDP1MEN1KMT2AGAA
SCHEMBL9513635 0.85 MAPT (0.61) MAPTTDP1MEN1KMT2ANPC1
SCHEMBL9517210 0.84 MAPT (0.42) MAPTTDP1DRD2STAT3CYP1A2
SCHEMBL9517236 0.82 HTR1A (0.43) MAPTTDP1GAADRD2STAT3
SCHEMBL9515163 0.82 STAT3 (0.40) MAPTTDP1NPC1RAB9ASTAT3
SCHEMBL9513686 0.81 SIGMAR1 (0.47) STAT3HTR1A
SCHEMBL9596924 0.81 MAPT (0.67) MAPTTDP1MEN1KMT2AGAA
SCHEMBL9513786 0.79 NPC1 (0.48) MEN1KMT2ANPC1RAB9ASTAT3
SCHEMBL9514704 0.78 NPC1 (0.47) MEN1KMT2ANPC1RAB9ASTAT3
Oxalic Acid SCHEMBL9613886 0.76 MAPT (0.61) MAPTTDP1MEN1KMT2AGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5227488-A AZA SPIRO DECANE AND USE THEREOF IN TREATING CNS DISORDERS NOVO NORDISK A/S (DK) 1993-07-13 — — US disclosed
EP-0495826-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-07-29 — — EP disclosed
WO-1991004973-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-04-18 — — WO disclosed
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