SCHEMBL11336164

SCHEMBL11336164

O=C(OSc1ccccc1[N+](=O)[O-])[C@@H]1CCCN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KDM4A O75164 1/20 0.38
▸ TDP2 O95551 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ CRBN Q96SW2 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PDE7A Q13946 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ ITGB2 P05107 1/20 0.35
▸ ICAM1 P05362 1/20 0.35

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
SCHEMBL7978485 0.79 SMN1; SMN2 (0.44) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL3499943 0.79 SMN1; SMN2 (0.44) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL5350227 0.78 MAPT (0.49) MAPTNPSR1ALDH1A1KMT2AMEN1
SCHEMBL3643942 0.76 ELANE (0.44) SLC6A2SLC6A4SLC6A3KDM4EELANE
SCHEMBL12869701 0.76 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1KDM4EELANE
Calcium SCHEMBL7644712 0.75 ELANE (0.43) SLC6A2SLC6A4SLC6A3KDM4EELANE
SCHEMBL5065649 0.75 KMT2A (0.44) ALDH1A1KMT2AMEN1
SCHEMBL1653893 0.73 GPR35 (0.39) MAPTALDH1A1KMT2AMEN1SLC6A2
Nitrophenolate SCHEMBL3499946 0.72 PKM (0.43) MAPTNPSR1ALDH1A1KMT2AMEN1
Nitrophenolate SCHEMBL3499942 0.72 PKM (0.43) MAPTNPSR1ALDH1A1KMT2AMEN1

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-4301045-A RESIN PEPTIDES ARMOUR PHARMACEUTICAL COMPANY (US) 1981-11-17 — — US disclosed
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