SCHEMBL9239160

SCHEMBL9239160

O=C(CN1CCCC1=O)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.67
CYP2C19 P33261 2/20 0.67
CYP1A2 P05177 1/20 0.67
RECQL P46063 1/20 0.67
HTT P42858 2/20 0.64
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
ALDH1A1 P00352 5/20 0.60
CYP2C9 P11712 1/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
ATM Q13315 1/20 0.54
MAPT P10636 3/20 0.53
DDX3X O00571 1/20 0.53
POLB P06746 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
L3MBTL1 Q9Y468 2/20 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
SCHEMBL3260049 0.83 CYP2D6 (0.95) CYP2D6CYP2C19CYP1A2RECQLMEN1
SCHEMBL3207575 0.81 CYP2D6 (0.97) CYP2D6CYP2C19CYP1A2RECQLMEN1
SCHEMBL17896872 0.80 HTT (0.71) CYP2C19CYP1A2HTTALDH1A1LMNA
SCHEMBL11391291 0.79 HTT (1.00) HTTMEN1KMT2AALDH1A1RAB9A
SCHEMBL5141415 0.77 MEN1 (0.75) CYP2D6CYP2C19CYP1A2RECQLHTT
SCHEMBL18626563 0.77 HTT (0.66) HTTMEN1KMT2AALDH1A1NPC1
SCHEMBL3211290 0.77 CYP2D6 (0.76) CYP2D6CYP2C19CYP1A2RECQLHTT
SCHEMBL17896319 0.77 HTT (0.66) HTTMEN1KMT2AALDH1A1NPC1
SCHEMBL4750190 0.76 CYP2D6 (0.74) CYP2D6CYP2C19CYP1A2RECQLMEN1
SCHEMBL15092821 0.75 CYP2D6 (0.76) CYP2D6CYP2C19CYP1A2RECQLMEN1

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-0436301-B1 Crystal-polymer matrix composites BRITISH TECH GROUP (GB) 1995-03-15 EP disclosed
US-5167888-A In situ growth of organic and/or inorganic crystals in a polymer matrix by using temperature gradient zone melting technique THE BRITISH PETROLEUM COMPANY P.L.C. (GB) 1992-12-01 US disclosed
EP-0436301-A2 Crystal-polymer matrix composites BTG INTERNATIONAL LIMITED (GB) 1991-07-10 EP disclosed