SCHEMBL6852003

SCHEMBL6852003

O=[N+]([O-])C=C1NCCN1c1ccc(Cl)nc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.63
CHRNA3 P32297 7/20 0.57
CHRNA1 P02708 1/20 0.57
CHRNA7 P36544 1/20 0.57
CHRNB2 P17787 7/20 0.46
CHRNA4 P43681 7/20 0.46
ALDH1A1 P00352 1/20 0.43
POLB P06746 2/20 0.38
CHRNB4 P30926 6/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6852000 1.00 SMN1; SMN2 (0.63) SMN1; SMN2CHRNA3CHRNA1CHRNA7CHRNB2
SCHEMBL9217044 0.93 CHRNA3 (0.64) SMN1; SMN2CHRNA3CHRNA1CHRNA7CHRNB2
SCHEMBL9217051 0.93 CHRNA3 (0.64) SMN1; SMN2CHRNA3CHRNA1CHRNA7CHRNB2
SCHEMBL9217910 0.85 SMN1; SMN2 (0.46) SMN1; SMN2CHRNA3CHRNA1CHRNA7CHRNB2
SCHEMBL9217916 0.85 SMN1; SMN2 (0.46) SMN1; SMN2CHRNA3CHRNA1CHRNA7CHRNB2
SCHEMBL9207922 0.82 SMN1; SMN2 (0.47) SMN1; SMN2CHRNA3CHRNA1CHRNA7
SCHEMBL9213801 0.81 SMN1; SMN2 (0.43) SMN1; SMN2CHRNA3CHRNA1CHRNA7CHRNB2
SCHEMBL9219090 0.81 CHRNB2 (0.43) SMN1; SMN2CHRNA3CHRNA1CHRNA7CHRNB2
SCHEMBL9213804 0.81 SMN1; SMN2 (0.43) SMN1; SMN2CHRNA3CHRNA1CHRNA7CHRNB2
SCHEMBL9219085 0.81 CHRNB2 (0.43) SMN1; SMN2CHRNA3CHRNA1CHRNA7CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030194419-A1 COATED PESTICIDAL MATRICES, A PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM BASF AKTIENGESELLSCHAFT 2003-10-16 US claimed
EP-0890308-B1 Coated pesticidal matrices, a process for their preparation and compositions containing them BASF AG (DE) 2003-10-08 EP claimed
EP-0890308-A1 Coated pesticidal matrices, a process for their preparation and compositions containing them American Cyanamid Company (US) 1999-01-13 EP claimed
US-6776996-B2 Pesticidal matrices BASF AKTIENGESELLSCHAFT (DE) 2004-08-17 US disclosed
US-20030194419-A1 COATED PESTICIDAL MATRICES, A PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM BASF AKTIENGESELLSCHAFT 2003-10-16 US disclosed
EP-0890308-B1 Coated pesticidal matrices, a process for their preparation and compositions containing them BASF AG (DE) 2003-10-08 EP disclosed
EP-0890308-A1 Coated pesticidal matrices, a process for their preparation and compositions containing them American Cyanamid Company (US) 1999-01-13 EP disclosed
CN-1030317-C Insecticidal composition using nitromethylene compound as active ingredient SHELL INT RESEARCH (NL) 1995-11-22 CN disclosed
EP-0369526-B1 Nitromethylene compounds, their preparation and their use as pesticides SHELL INT RESEARCH (NL) 1995-07-26 EP disclosed
WO-1994022851-A1 DIHALONITROMETHYL HETEROCYCLES AND THEIR USE AS PESTICIDES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1994-10-13 WO disclosed
EP-0605059-A1 Nitromethylene compounds and their use as pesticides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1994-07-06 EP disclosed
US-5039686-A Insecticides SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1991-08-13 US disclosed
CN-1042710-A Nitromethylene compounds, their preparation method and they are as the purposes of agricultural chemicals SHELL INT RESEARCH (NL) 1990-06-06 CN disclosed
EP-0369526-A2 Nitromethylene compounds, their preparation and their use as pesticides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-05-23 EP disclosed