SCHEMBL10971124

SCHEMBL10971124

O=C(NCCCCNCCCNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
HPGD P15428 3/20 0.70
POLB P06746 2/20 0.69
SMN1; SMN2 Q16637 1/20 0.66
L3MBTL1 Q9Y468 2/20 0.64
LMNA P02545 2/20 0.64
HDAC1 Q13547 2/20 0.60
HDAC3 O15379 1/20 0.60
PKM P14618 1/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
ATM Q13315 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
THRA P10827 1/20 0.53

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
SCHEMBL9492603 0.93 ALDH1A1 (0.76) ALDH1A1HPGDPOLBSMN1; SMN2L3MBTL1
SCHEMBL5149346 0.88 ALDH1A1 (0.69) ALDH1A1HPGDPOLBSMN1; SMN2L3MBTL1
SCHEMBL18798610 0.88 ALDH1A1 (0.69) ALDH1A1HPGDPOLBSMN1; SMN2L3MBTL1
SCHEMBL9168088 0.86 ALDH1A1 (0.67) ALDH1A1HPGDPOLBSMN1; SMN2L3MBTL1
SCHEMBL15923520 0.86 ALDH1A1 (0.67) ALDH1A1HPGDPOLBSMN1; SMN2L3MBTL1
SCHEMBL9170322 0.86 ALDH1A1 (0.67) ALDH1A1HPGDPOLBSMN1; SMN2L3MBTL1
SCHEMBL5507075 0.86 ALDH1A1 (0.70) ALDH1A1HPGDPOLBSMN1; SMN2L3MBTL1
SCHEMBL10971233 0.85 PKM (0.67) ALDH1A1HPGDPOLBL3MBTL1LMNA
SCHEMBL13602366 0.85 ALDH1A1 (0.70) ALDH1A1HPGDPOLBSMN1; SMN2L3MBTL1
SCHEMBL6967304 0.84 ALDH1A1 (0.93) ALDH1A1HPGDPOLBSMN1; SMN2L3MBTL1

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-0081726-B1 NITROBENZOIC ACID AMIDE DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1985-06-12 EP claimed
EP-0081726-B1 NITROBENZOIC ACID AMIDE DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1985-06-12 EP disclosed
EP-0081726-A1 Nitrobenzoic acid amide derivatives TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1983-06-22 EP disclosed