SCHEMBL9627253

SCHEMBL9627253

O=C(NOc1cccc([N+](=O)[O-])c1)N1CCCCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.54
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
GAA P10253 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
RXFP1 Q9HBX9 1/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
GPR55 Q9Y2T6 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
LTA4H P09960 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A2 P23975 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL4146922 0.76 SMN1; SMN2 (0.56) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL30283510 0.76 CHRNB4 (0.53) LMNAALDH1A1SMN1; SMN2GAANPC1
SCHEMBL434046 0.76 RAB9A (0.74) LMNAALDH1A1SMN1; SMN2GAANPC1
SCHEMBL9627265 0.75 MGLL (0.50) SMN1; SMN2NPC1RAB9ACYP1A2CYP2D6
SCHEMBL1879807 0.71 RXFP1 (0.91) LMNAALDH1A1SMN1; SMN2RXFP1MEN1
SCHEMBL10315570 0.69 SIGMAR1 (0.65) LMNAALDH1A1SMN1; SMN2GAANPC1
SCHEMBL2481721 0.69 SLC6A2 (0.56) ALDH1A1RXFP1SLC6A2CHRNB4CHRNA3
SCHEMBL9674597 0.69 MAPT (0.57) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3216355 0.68 LTA4H (0.81) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL27382089 0.68 RXFP1 (0.52) LMNAALDH1A1SMN1; SMN2GAANPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5112385-A Useful in rice paddies KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-05-12 US disclosed
EP-0268688-B1 SUBSTITUTED ARYLOXYUREAS, PROCESS FOR THEIR PREPARATION, AND THEIR USE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-04 EP disclosed
US-4968341-A PRE-AND POSTEMERGENCE HERBICIDES KUMIAI CHEMICAL INDUSTRY CO. (JP) 1990-11-06 US disclosed
EP-0268688-A1 SUBSTITUTED ARYLOXYUREAS, PROCESS FOR THEIR PREPARATION, AND THEIR USE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-06-01 EP disclosed