SCHEMBL11199570

SCHEMBL11199570

O=C(CN1CCCCC1)NCCC(Nc1cccc(Cl)c1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 1/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MAPT P10636 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HPGD P15428 2/20 0.44
▸ LMNA P02545 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ ALPL P05186 1/20 0.43
▸ ALPI P09923 1/20 0.43
▸ ALPG P10696 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ THRB P10828 1/20 0.43

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
SCHEMBL11196859 0.90 LMNA (0.49) CASRALDH1A1HTTPOLBLMNA
SCHEMBL11200148 0.88 NPC1 (0.52) KMT2AMEN1ALDH1A1NPC1L3MBTL1
SCHEMBL11195367 0.84 CASR (0.57) CASRKMT2AMEN1ALDH1A1NPC1
SCHEMBL11193136 0.82 KMT2A (0.48) KMT2AMEN1ALDH1A1NPC1L3MBTL1
SCHEMBL11197946 0.82 NPC1 (0.48) KMT2AMEN1ALDH1A1NPC1L3MBTL1
SCHEMBL11198135 0.79 NPC1 (0.44) KMT2AMEN1ALDH1A1NPC1L3MBTL1
SCHEMBL11200538 0.78 SMN1; SMN2 (0.57) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL11198673 0.78 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL11198968 0.78 CASR (0.56) CASRKMT2AMEN1ALDH1A1NPC1
SCHEMBL11200409 0.78 SMN1; SMN2 (0.49) KMT2AMEN1ALDH1A1NPC1HTT

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-4379926-A DIURETICS AYERST, MCKENNA & HARRISON LTD. (CA) 1983-04-12 — — US disclosed
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