SCHEMBL6279617

SCHEMBL6279617

O=C(CSc1nnnn1-c1cccc2cnccc12)Nc1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ ALDH1A1 P00352 10/20 0.56
▸ SMN1; SMN2 Q16637 7/20 0.56
▸ GAA P10253 1/20 0.56
▸ MAPT P10636 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ HTT P42858 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.54
▸ POLB P06746 2/20 0.54
▸ LMNA P02545 4/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ HPGD P15428 1/20 0.50
▸ TP53 P04637 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
SCHEMBL1702494 0.91 ALDH1A1 (0.64) L3MBTL1ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL6274384 0.80 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2GAAMAPTMEN1
SCHEMBL13547708 0.78 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2GAAMAPTMEN1
SCHEMBL6278534 0.78 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2GAAMAPTMEN1
SCHEMBL6279104 0.77 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2GAAMAPTMEN1
SCHEMBL6274361 0.77 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2GAAMAPTMEN1
SCHEMBL1702962 0.77 ALDH1A1 (0.66) L3MBTL1ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL13547675 0.75 ALDH1A1 (0.76) L3MBTL1ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL24209696 0.75 NPSR1 (0.67) L3MBTL1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6278157 0.74 KMT2A (0.66) ALDH1A1SMN1; SMN2GAAMAPTMEN1

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-2005115147-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2005-12-08 — — WO disclosed
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