SCHEMBL9513635

SCHEMBL9513635

COc1ccc2[nH]cc(SCC(N)CCCCN3C(=O)c4ccccc4C3=O)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.61
▸ MEN1 O00255 5/20 0.61
▸ KMT2A Q03164 5/20 0.61
▸ LMNA P02545 4/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ RXFP1 Q9HBX9 2/20 0.42
▸ HTR1A P08908 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NTRK1 P04629 2/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ RET P07949 1/20 0.40
▸ PDGFRB P09619 1/20 0.40

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 0.86 MAPT (0.59) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9517046 0.85 MAPT (0.54) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9513853 0.85 SMN1; SMN2 (0.49) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9517325 0.84 LMNA (0.41) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9514774 0.83 HTR1A (0.42) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9513608 0.82 MAPT (0.62) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9514753 0.81 HTR1A (0.45) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9514297 0.81 HTR1A (0.39) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL8229566 0.73 MAPT (0.87) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9522812 0.73 HDAC3 (0.47) MAPTMEN1KMT2ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0495826-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-07-29 — — EP claimed
WO-1991004973-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-04-18 — — WO claimed
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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