SCHEMBL7832126

SCHEMBL7832126

CCOC(=O)CCCCCC(C#N)c1nc2ccccc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ MAPK1 P28482 1/20 0.46
▸ MAPT P10636 6/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ TOP2A P11388 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ LMNA P02545 3/20 0.41
▸ HTT P42858 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ HSD17B10 Q99714 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
SCHEMBL7829657 0.85 SMN1; SMN2 (0.51) MAPK1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL7831499 0.82 HDAC1 (0.51) MAPTALOX5LMNA
SCHEMBL6642195 0.75 L3MBTL1 (0.69) L3MBTL1MAPK1MAPTKDM4ESMN1; SMN2
SCHEMBL7835269 0.74 HDAC1 (0.46) GAAALDH1A1
SCHEMBL9811164 0.74 MAPT (0.53) L3MBTL1MAPK1MAPTKDM4EMEN1
Bromide SCHEMBL1362177 0.73 L3MBTL1 (0.62) L3MBTL1MAPK1MAPTKDM4ERAB9A
SCHEMBL10653229 0.73 RAB9A (0.58) L3MBTL1MAPK1MAPTKDM4ERAB9A
SCHEMBL7820980 0.73 TNF (0.46) L3MBTL1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL9705564 0.72 CYP3A4 (0.49) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL8035390 0.72 L3MBTL1 (0.45) L3MBTL1MAPK1MAPTKDM4ERAB9A

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
EP-0737671-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 — — EP disclosed
US-5804601-A USEFUL FOR TREATING ALZHEIMER'S DISEASE, MULTIPLE SCLEROSIS, BACTERIAL OR VIRAL MENINGITIS, DOWN'S SYNDROME AND PARKINSON'S DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-08 — — US disclosed
EP-0737671-A2 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-10-16 — — EP disclosed
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